Geometry & MOs

Info

ID:	146132
PubChem CID:	53641516
Reduced:	SO3N6H11C12 (1)
Stoich.:	AB3C6D11E12 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	85.12
Dipole, Da:	1.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.928891
Charge, e:	0

Chem-info

IUPAC name:

methyl N'-(dimethylcarbamoyl)-N-methyl-N-(phenylcarbamoyl)carbamimidothioate

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N1)N)C(=O)N2C3=CC=CC=C3[N+](=O)N2

DOS

IR

Vibrations