Geometry & MOs

Info

ID:

97382

PubChem CID:

50030960

Reduced:

F2O4N5C30H31 (1)

Stoich.:

A2B4C5D30E31 (1)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-207.57

Dipole, Da:

8.87

IP(EA), eV:

 -8.72(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexanecarbonylamino)-3-methylphenyl]-1-[1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)N

DOS

IR

Vibrations