Geometry & MOs

Info

ID:	243172
PubChem CID:	99216381
Reduced:	SN2O4C21H30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-146.61
Dipole, Da:	4.89
IP(EA), eV:	-8.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-morpholin-4-yl-5-nitrophenyl)-(1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)N2CCCSCC2)OCC(=O)N3CCCCC3

DOS

IR

Vibrations