Geometry & MOs

Info

ID:

100436

PubChem CID:

50061431

Reduced:

O4N5C34H39 (1)

Stoich.:

A4B5C34D39 (1)

Weight, g/mol:

719.229773

ΔHf, kcal/mol:

-121.88

Dipole, Da:

10.67

IP(EA), eV:

 -8.61(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCCC5)C

DOS

IR

Vibrations