Geometry & MOs

Info

ID:

91512

PubChem CID:

49976590

Reduced:

N6O7C33H44 (1)

Stoich.:

A6B7C33D44 (1)

Weight, g/mol:

678.337712

ΔHf, kcal/mol:

-262.46

Dipole, Da:

8.23

IP(EA), eV:

 -8.76(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methoxy-5-(morpholine-4-carbonyl)anilino]-3-oxopropyl]-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)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)OC

DOS

IR

Vibrations