Geometry & MOs

Info

ID:	23111
PubChem CID:	601960
Reduced:	SO2N3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	225.057198
ΔH_f, kcal/mol:	35.83
Dipole, Da:	5.48
IP(EA), eV:	-9.07(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-N'-(3-nitrophenyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

CN(C)C(=NC1=CC(=CC=C1)[N+](=O)[O-])S

DOS

IR

Vibrations