Geometry & MOs

Info

ID:	424715
PubChem CID:	135123689
Reduced:	N3O4C16H17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	669.273339
ΔH_f, kcal/mol:	-44.29
Dipole, Da:	8.26
IP(EA), eV:	-8.86(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[(4R)-4-ethyl-1,1-dioxo-3,4-dihydropyrido[2,3-b][1,4,5]oxathiazepin-2-yl]methyl]-4-methylphenyl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)-N-(5-methoxypyridin-3-yl)propanamide

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

CN(C)/C=C/C(=O)C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=O)C23CCC3

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

CN(C)/C=C/C(=O)C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=O)C23CCC3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):