Geometry & MOs

Info

ID:

107612

PubChem CID:

50210859

Reduced:

ClO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

646.267046

ΔHf, kcal/mol:

-184.73

Dipole, Da:

11.67

IP(EA), eV:

 -8.72(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations