Geometry & MOs

Info

ID:	209978
PubChem CID:	80746514
Reduced:	S2N3O5C9H15 (1)
Stoich.:	A2B3C5D9E15 (1)
Weight, g/mol:	319.066048
ΔH_f, kcal/mol:	-110.77
Dipole, Da:	4.76
IP(EA), eV:	-9.36(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylcyclopropyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(COC)N(C)S(=O)(=O)C1=CC(=C(S1)N)[N+](=O)[O-]

DOS

IR

Vibrations