Geometry & MOs

Info

ID:	242957
PubChem CID:	99214505
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	415.148511
ΔH_f, kcal/mol:	-5.72
Dipole, Da:	2.58
IP(EA), eV:	-8.05(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)sulfanyl-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C\C(=O)NC2=CC(=CC=C2)N3CCN(CC3)CC4CC4

DOS

IR

Vibrations