Geometry & MOs

Info

ID:	171932
PubChem CID:	75443409
Reduced:	SO2N5C18H31 (1)
Stoich.:	AB2C5D18E31 (1)
Weight, g/mol:	380.149382
ΔH_f, kcal/mol:	-81.85
Dipole, Da:	2.83
IP(EA), eV:	-8.51(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxypropyl)-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(C)O)C(=O)NCCC2=CSC(=N2)N3CCCC3

DOS

IR

Vibrations