Geometry & MOs

Info

ID:	143242
PubChem CID:	53170580
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-129.46
Dipole, Da:	6.45
IP(EA), eV:	-9.17(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations