Geometry & MOs

Info

ID:

109001

PubChem CID:

50267960

Reduced:

FCl2O4N5C34H38 (1)

Stoich.:

AB2C4D5E34F38 (1)

Weight, g/mol:

744.363533

ΔHf, kcal/mol:

-202.56

Dipole, Da:

4.25

IP(EA), eV:

 -9.15(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-methoxybenzoyl)amino]-3-methylphenyl]-1-[1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations