Geometry & MOs

Info

ID:

113515

PubChem CID:

50449408

Reduced:

N5O5C33H37 (1)

Stoich.:

A5B5C33D37 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-161.51

Dipole, Da:

3.59

IP(EA), eV:

 -8.96(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(2-methylbutanoylamino)phenyl]-1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)C)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations