Geometry & MOs

Info

ID:

104655

PubChem CID:

50104831

Reduced:

N6O7C33H44 (1)

Stoich.:

A6B7C33D44 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-261.82

Dipole, Da:

7.71

IP(EA), eV:

 -9.02(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(cyclopentylcarbamoyl)-2-methoxyanilino]-3-oxopropyl]-1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)OC

DOS

IR

Vibrations