Geometry & MOs

Info

ID:	351174
PubChem CID:	127279732
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	373.193632
ΔH_f, kcal/mol:	-112.8
Dipole, Da:	4.33
IP(EA), eV:	-9.27(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CC3=C(S2)CCOC3

DOS

IR

Vibrations