Geometry & MOs

Info

ID:

91338

PubChem CID:

49975205

Reduced:

N6O7C33H44 (1)

Stoich.:

A6B7C33D44 (1)

Weight, g/mol:

676.358448

ΔHf, kcal/mol:

-276.94

Dipole, Da:

13.21

IP(EA), eV:

 -8.46(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(cyclohexanecarbonylamino)-3-methoxyanilino]-2-oxoethyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C(C)C)OC

DOS

IR

Vibrations