Geometry & MOs

Info

ID:	56513
PubChem CID:	17436011
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	417.058376
ΔH_f, kcal/mol:	-110.76
Dipole, Da:	5.76
IP(EA), eV:	-9.36(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CC1(CCCC1)C(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations