Geometry & MOs

Info

ID:	140183
PubChem CID:	52659285
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	471.101955
ΔH_f, kcal/mol:	-58.28
Dipole, Da:	3.25
IP(EA), eV:	-8.57(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-[[(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoyl]amino]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1CC2=CC=C(C=C2)NC(=O)[C@@H](C)OC3=CC=CC=C3

DOS

IR

Vibrations