Geometry & MOs

Info

ID:

106542

PubChem CID:

50167339

Reduced:

O4N5C30H39 (1)

Stoich.:

A4B5C30D39 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-166.3

Dipole, Da:

9.57

IP(EA), eV:

 -8.79(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCC4)C

DOS

IR

Vibrations