Geometry & MOs

Info

ID:

96572

PubChem CID:

50022334

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

736.23841

ΔHf, kcal/mol:

-182.69

Dipole, Da:

7.11

IP(EA), eV:

 -8.94(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-bromo-3-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC(C)C4=CC=CC=C4

DOS

IR

Vibrations