Geometry & MOs

Info

ID:

107535

PubChem CID:

50207750

Reduced:

ClO4N5C30H32 (1)

Stoich.:

AB4C5D30E32 (1)

Weight, g/mol:

555.284555

ΔHf, kcal/mol:

-118.13

Dipole, Da:

2.89

IP(EA), eV:

 -8.58(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-4-[(3-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations