Geometry & MOs

Info

ID:

107209

PubChem CID:

50195189

Reduced:

N6O7C38H52 (1)

Stoich.:

A6B7C38D52 (1)

Weight, g/mol:

662.342798

ΔHf, kcal/mol:

-288.8

Dipole, Da:

7.44

IP(EA), eV:

 -8.66(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methoxy-5-(methylcarbamoyl)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(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations