Geometry & MOs

Info

ID:

110756

PubChem CID:

50338993

Reduced:

FO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-210.76

Dipole, Da:

6.14

IP(EA), eV:

 -8.76(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC4

DOS

IR

Vibrations