Geometry & MOs

Info

ID:	196475
PubChem CID:	78836460
Reduced:	SO3N4C23H30 (1)
Stoich.:	AB3C4D23E30 (1)
Weight, g/mol:	366.053798
ΔH_f, kcal/mol:	-86.78
Dipole, Da:	0.43
IP(EA), eV:	-8.53(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CN3CCCC(C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations