Geometry & MOs

Info

ID:

95043

PubChem CID:

50005959

Reduced:

BrO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

646.267046

ΔHf, kcal/mol:

-203.95

Dipole, Da:

8.81

IP(EA), eV:

 -8.8(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)C)Br

DOS

IR

Vibrations