Geometry & MOs

Info

ID:

107740

PubChem CID:

50216921

Reduced:

NOC6H7 (6)

Stoich.:

ABC6D7 (6)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-193.77

Dipole, Da:

5.15

IP(EA), eV:

 -8.7(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(diethylcarbamoyl)-2-methylphenyl]-1-[2-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)OC

DOS

IR

Vibrations