Geometry & MOs

Info

ID:	362450
PubChem CID:	127307796
Reduced:	O2N4C19H32 (1)
Stoich.:	A2B4C19D32 (1)
Weight, g/mol:	386.144633
ΔH_f, kcal/mol:	-79.88
Dipole, Da:	2.87
IP(EA), eV:	-8.59(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCC(N1C(C)C(=O)N2CCOC(C2)CN3C(=CC(=N3)C)C)C

DOS

IR

Vibrations