Geometry & MOs

Info

ID:

116374

PubChem CID:

50558319

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

732.259374

ΔHf, kcal/mol:

-235.18

Dipole, Da:

8.22

IP(EA), eV:

 -8.91(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(3-methylbenzoyl)amino]phenyl]-1-[1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5)C

DOS

IR

Vibrations