Geometry & MOs

Info

ID:

107190

PubChem CID:

50194370

Reduced:

FO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

728.308911

ΔHf, kcal/mol:

-269.58

Dipole, Da:

2.8

IP(EA), eV:

 -8.76(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCC(CC4)C)C)F

DOS

IR

Vibrations