Geometry & MOs

Info

ID:

117691

PubChem CID:

50611388

Reduced:

ClF2O4N5C30H30 (1)

Stoich.:

AB2C4D5E30F30 (1)

Weight, g/mol:

720.259374

ΔHf, kcal/mol:

-211.98

Dipole, Da:

4.66

IP(EA), eV:

 -8.91(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[2-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)F)F)Cl

DOS

IR

Vibrations