Geometry & MOs

Info

ID:	349746
PubChem CID:	127275908
Reduced:	O3N4C21H36 (1)
Stoich.:	A3B4C21D36 (1)
Weight, g/mol:	356.068691
ΔH_f, kcal/mol:	-110.73
Dipole, Da:	4.53
IP(EA), eV:	-8.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(C(C)C)C(=O)N2CCCC(C2)C3=NOC(=N3)C(C)C

DOS

IR

Vibrations