Geometry & MOs

Info

ID:

95400

PubChem CID:

50009031

Reduced:

O4N5C31H41 (1)

Stoich.:

A4B5C31D41 (1)

Weight, g/mol:

670.24783

ΔHf, kcal/mol:

-163.13

Dipole, Da:

7.99

IP(EA), eV:

 -8.84(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(propan-2-ylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)C)C

DOS

IR

Vibrations