Geometry & MOs

Info

ID:

105957

PubChem CID:

50144187

Reduced:

O5N6C38H48 (1)

Stoich.:

A5B6C38D48 (1)

Weight, g/mol:

668.308911

ΔHf, kcal/mol:

-203.34

Dipole, Da:

10.57

IP(EA), eV:

 -8.68(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(morpholine-4-carbonyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC(C)C)C)C

DOS

IR

Vibrations