Geometry & MOs

Info

ID:

107628

PubChem CID:

50211472

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-209.5

Dipole, Da:

7.15

IP(EA), eV:

 -8.6(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[5-[(4-fluorophenyl)carbamoyl]-2-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N(CC)CC)C)C

DOS

IR

Vibrations