Geometry & MOs

Info

ID:

91669

PubChem CID:

49978167

Reduced:

N5O6C30H39 (1)

Stoich.:

A5B6C30D39 (1)

Weight, g/mol:

690.297739

ΔHf, kcal/mol:

-224.67

Dipole, Da:

6.98

IP(EA), eV:

 -8.56(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2,4-difluorophenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations