Geometry & MOs

Info

ID:

110946

PubChem CID:

50345129

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-196.25

Dipole, Da:

8.26

IP(EA), eV:

 -8.76(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-fluorobenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)N(C)C)C

DOS

IR

Vibrations