Geometry & MOs

Info

ID:	353872
PubChem CID:	127285512
Reduced:	N2S2O4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	351.071134
ΔH_f, kcal/mol:	-93.81
Dipole, Da:	4.95
IP(EA), eV:	-9.26(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNS(=O)(=O)C2=CC=CC3=C2OCCO3

DOS

IR

Vibrations