Geometry & MOs

Info

ID:

118638

PubChem CID:

50651190

Reduced:

Cl2O5N6C36H46 (1)

Stoich.:

A2B5C6D36E46 (1)

Weight, g/mol:

702.329646

ΔHf, kcal/mol:

-220.49

Dipole, Da:

12.03

IP(EA), eV:

 -8.95(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[3-methyl-4-[(2-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C(=O)N5CCCC(C5)C)Cl

DOS

IR

Vibrations