Geometry & MOs

Info

ID:

117996

PubChem CID:

50623480

Reduced:

ClSO4N7C29H34 (1)

Stoich.:

ABC4D7E29F34 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-103.53

Dipole, Da:

6.49

IP(EA), eV:

 -8.76(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[2-[4-[(4-fluorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(S1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations