Geometry & MOs

Info

ID:

111885

PubChem CID:

50385266

Reduced:

N6O6C33H44 (1)

Stoich.:

A6B6C33D44 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-230.03

Dipole, Da:

8.53

IP(EA), eV:

 -8.83(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-oxo-1-[4-(propan-2-ylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)C(=O)N(C)C)C(=O)N4CCOCC4

DOS

IR

Vibrations