Geometry & MOs

Info

ID:

117438

PubChem CID:

50603134

Reduced:

ClO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-163.21

Dipole, Da:

5.43

IP(EA), eV:

 -8.63(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-[(3-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)Cl)C

DOS

IR

Vibrations