Geometry & MOs

Info

ID:	357662
PubChem CID:	127294336
Reduced:	SN2O2C10H22 (1)
Stoich.:	AB2C2D10E22 (1)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	-112.16
Dipole, Da:	5.14
IP(EA), eV:	-8.84(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1(CCN(CC1)CCNS(=O)(=O)C)C

DOS

IR

Vibrations