Geometry & MOs

Info

ID:	195699
PubChem CID:	78724285
Reduced:	ClSN4O4H15C16 (1)
Stoich.:	ABC4D4E15F16 (1)
Weight, g/mol:	325.169822
ΔH_f, kcal/mol:	40.21
Dipole, Da:	6.43
IP(EA), eV:	-8.88(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[3-[[methyl-[1-(3-nitrophenyl)ethyl]carbamothioyl]amino]propyl]azanium

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations