Geometry & MOs

Info

ID:	62283
PubChem CID:	26718907
Reduced:	O2S2N4C23H26 (1)
Stoich.:	A2B2C4D23E26 (1)
Weight, g/mol:	391.171834
ΔH_f, kcal/mol:	-23.14
Dipole, Da:	1.13
IP(EA), eV:	-8.48(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenylpiperazin-1-yl)-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)NC(=N3)CSCCC(=O)N4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations