Geometry & MOs

Info

ID:	46226
PubChem CID:	10523383
Reduced:	SN3O4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-60.56
Dipole, Da:	3.86
IP(EA), eV:	-9.38(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-methoxy-5-[[5-(6-morpholin-4-yl-6-oxohexyl)-1H-pyrrol-2-yl]methylidene]pyrrol-2-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NO)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations