Geometry & MOs

Info

ID:

106638

PubChem CID:

50171166

Reduced:

N5O5C30H39 (1)

Stoich.:

A5B5C30D39 (1)

Weight, g/mol:

555.224847

ΔHf, kcal/mol:

-184.67

Dipole, Da:

1.85

IP(EA), eV:

 -9.04(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(methylcarbamoyl)phenyl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations