Geometry & MOs

Info

ID:	380801
PubChem CID:	134971365
Reduced:	N3O7C18H25 (1)
Stoich.:	A3B7C18D25 (1)
Weight, g/mol:	480.185629
ΔH_f, kcal/mol:	-265.46
Dipole, Da:	3.01
IP(EA), eV:	-9.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-4-[4-[4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

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

CC1(N([C@@H](CO1)C2=NC(=CO2)C3=NC(CO3)C(=O)OC)C(=O)OC(C)(C)C)C

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

CC1(N([C@@H](CO1)C2=NC(=CO2)C3=NC(CO3)C(=O)OC)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):