Geometry & MOs

Info

ID:	363417
PubChem CID:	127311220
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	390.208947
ΔH_f, kcal/mol:	-28.53
Dipole, Da:	5.41
IP(EA), eV:	-9.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[2-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclohexyl]methanone

Drug info:

PubChemData

Smile

CN1C(C(CCC1=O)C(=O)N2CCN(CC2)CC3=CSC=N3)C4=CC=CC=C4

DOS

IR

Vibrations