Geometry & MOs

Info

ID:

93063

PubChem CID:

49991303

Reduced:

BrO3N4C30H39 (1)

Stoich.:

AB3C4D30E39 (1)

Weight, g/mol:

740.345296

ΔHf, kcal/mol:

-126.18

Dipole, Da:

8.38

IP(EA), eV:

 -8.95(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations