Geometry & MOs

Info

ID:	230008
PubChem CID:	87569865
Reduced:	SN2O6H22C23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	173.062283
ΔH_f, kcal/mol:	-133.11
Dipole, Da:	4.89
IP(EA), eV:	-9.0(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-cyano-N'-(1-methoxyethyl)carbamimidothioate

Drug info:

PubChemData

Smile

CC(C(=O)OC)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations