Geometry & MOs

Info

ID:

106846

PubChem CID:

50178765

Reduced:

N3O3C19H23 (2)

Stoich.:

A3B3C19D23 (2)

Weight, g/mol:

702.293261

ΔHf, kcal/mol:

-221.35

Dipole, Da:

6.76

IP(EA), eV:

 -8.56(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-chlorobenzoyl)amino]-4-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N5CCOCC5)C)C

DOS

IR

Vibrations