Geometry & MOs

Info

ID:

104660

PubChem CID:

50104838

Reduced:

N6O6C35H42 (1)

Stoich.:

A6B6C35D42 (1)

Weight, g/mol:

660.307161

ΔHf, kcal/mol:

-198.36

Dipole, Da:

5.8

IP(EA), eV:

 -8.84(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[5-[(4-fluorophenyl)carbamoyl]-2-methoxyanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)OC

DOS

IR

Vibrations