Geometry & MOs

Info

ID:	46150
PubChem CID:	10522550
Reduced:	SN4H20C21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	360.091056
ΔH_f, kcal/mol:	118.86
Dipole, Da:	6.52
IP(EA), eV:	-8.14(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxybenzoyl chloride

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)/C=C/C2=NC3=NC4=CC=CC=C4N=C3S2

DOS

IR

Vibrations