Geometry & MOs

Info

ID:	346249
PubChem CID:	127270753
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	394.149718
ΔH_f, kcal/mol:	-22.02
Dipole, Da:	5.34
IP(EA), eV:	-9.61(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCC2)NC(=O)C3=CSC(=N3)C(C)C

DOS

IR

Vibrations