Geometry & MOs

Info

ID:

104310

PubChem CID:

50104000

Reduced:

ClO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-193.42

Dipole, Da:

9.47

IP(EA), eV:

 -8.77(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC(C)C)C

DOS

IR

Vibrations