Geometry & MOs

Info

ID:

96227

PubChem CID:

50019451

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

702.329646

ΔHf, kcal/mol:

-216.67

Dipole, Da:

7.16

IP(EA), eV:

 -9.17(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-[(2-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)Cl

DOS

IR

Vibrations