Geometry & MOs

Info

ID:	57995
PubChem CID:	24398163
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	483.128649
ΔH_f, kcal/mol:	-0.3
Dipole, Da:	3.22
IP(EA), eV:	-8.63(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-morpholin-4-ylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C=CC(=N1)C(=O)NC2=NC(=CS2)C3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations