Geometry & MOs

Info

ID:

118453

PubChem CID:

50643477

Reduced:

Cl2O5N6C33H42 (1)

Stoich.:

A2B5C6D33E42 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-210.22

Dipole, Da:

5.59

IP(EA), eV:

 -8.98(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[3-methyl-4-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)Cl

DOS

IR

Vibrations