Geometry & MOs

Info

ID:

113752

PubChem CID:

50457239

Reduced:

O5N6C34H40 (1)

Stoich.:

A5B6C34D40 (1)

Weight, g/mol:

704.313389

ΔHf, kcal/mol:

-162.85

Dipole, Da:

2.25

IP(EA), eV:

 -8.94(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations