Geometry & MOs

Info

ID:

90986

PubChem CID:

49972734

Reduced:

BrO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-163.45

Dipole, Da:

14.16

IP(EA), eV:

 -8.76(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations