Geometry & MOs

Info

ID:

312162

PubChem CID:

126603397

Reduced:

N2H4O5C7 (1)

Stoich.:

A2B4C5D7 (1)

Weight, g/mol:

1148.179571

ΔHf, kcal/mol:

-69.57

Dipole, Da:

1.11

IP(EA), eV:

-11.19(-2.51)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[4-chloro-2-[1-[3-chloro-2-[5-[[4-chloro-2-(ethylcarbamoyl)-6-methylphenyl]carbamoyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazol-1-yl]pyridin-4-yl]propan-2-ylcarbamoyl]-6-methylphenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1C(=O)O)C=O)[N+](=O)[O-]

DOS

IR

Vibrations