Geometry & MOs

Info

ID:

116276

PubChem CID:

50554273

Reduced:

ClFO4N5C35H39 (1)

Stoich.:

ABC4D5E35F39 (1)

Weight, g/mol:

658.243724

ΔHf, kcal/mol:

-177.18

Dipole, Da:

4.96

IP(EA), eV:

 -8.72(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations