Geometry & MOs

Info

ID:

95832

PubChem CID:

50015538

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

674.302825

ΔHf, kcal/mol:

-159.03

Dipole, Da:

10.06

IP(EA), eV:

 -8.68(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2,6-difluorophenyl)carbamoyl]phenyl]-1-[1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)NC)C

DOS

IR

Vibrations