Geometry & MOs

Info

ID:

215129

PubChem CID:

85084200

Reduced:

N7O13C30H43 (1)

Stoich.:

A7B13C30D43 (1)

Weight, g/mol:

709.347549

ΔHf, kcal/mol:

-583.59

Dipole, Da:

6.12

IP(EA), eV:

 -8.8(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carbonyl]amino]butyl]-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCC(=O)O)C(C)O)CC2=CC=C(C=C2)O)CC(=O)N)C(C)O)O

DOS

IR

Vibrations