Geometry & MOs

Info

ID:

110320

PubChem CID:

50320049

Reduced:

N6O6C33H46 (1)

Stoich.:

A6B6C33D46 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-263.6

Dipole, Da:

2.72

IP(EA), eV:

 -8.11(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3-fluorophenyl)carbamoyl]-6-methylphenyl]-1-[1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C)OC)C(=O)NC(C)C

DOS

IR

Vibrations