Geometry & MOs

Info

ID:	424730
PubChem CID:	135123724
Reduced:	N4O5C37H38 (1)
Stoich.:	A4B5C37D38 (1)
Weight, g/mol:	618.28422
ΔH_f, kcal/mol:	-83.99
Dipole, Da:	7.66
IP(EA), eV:	-8.72(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)N3[C@@H](COC3=O)C4=CC=CC=C4)C5=CC(=C(C=C5)C)COCC6=CC=C(C=C6)OC)C)N=N1

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)N3[C@@H](COC3=O)C4=CC=CC=C4)C5=CC(=C(C=C5)C)COCC6=CC=C(C=C6)OC)C)N=N1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):