Geometry & MOs

Info

ID:

110271

PubChem CID:

50318051

Reduced:

N6O6C31H40 (1)

Stoich.:

A6B6C31D40 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-243.95

Dipole, Da:

6.21

IP(EA), eV:

 -8.28(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C)C(=O)N

DOS

IR

Vibrations