Geometry & MOs

Info

ID:

91470

PubChem CID:

49976122

Reduced:

N6O7C35H46 (1)

Stoich.:

A6B7C35D46 (1)

Weight, g/mol:

620.332233

ΔHf, kcal/mol:

-269.68

Dipole, Da:

7.92

IP(EA), eV:

 -9.1(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[1-oxo-1-[4-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5

DOS

IR

Vibrations