Geometry & MOs

Info

ID:

119680

PubChem CID:

50696369

Reduced:

ClO3N4C28H35 (1)

Stoich.:

AB3C4D28E35 (1)

Weight, g/mol:

764.285589

ΔHf, kcal/mol:

-130.39

Dipole, Da:

7.32

IP(EA), eV:

 -8.62(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl)C

DOS

IR

Vibrations