Geometry & MOs

Info

ID:	131476
PubChem CID:	51211148
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	377.061632
ΔH_f, kcal/mol:	-65.3
Dipole, Da:	1.85
IP(EA), eV:	-8.96(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=CN4

DOS

IR

Vibrations