Geometry & MOs

Info

ID:	78011
PubChem CID:	49681539
Reduced:	OSN2H18C21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	423.128649
ΔH_f, kcal/mol:	74.57
Dipole, Da:	2.59
IP(EA), eV:	-8.45(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC2=NC=C(N2CC3=CC=CO3)C4=CC=CC=C4

DOS

IR

Vibrations