Geometry & MOs

Info

ID:	338318
PubChem CID:	127259010
Reduced:	BrN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	205.067369
ΔH_f, kcal/mol:	-146.12
Dipole, Da:	0.48
IP(EA), eV:	-9.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-cyano-N-(3-methylphenyl)carbamimidothioate

Drug info:

PubChemData

Smile

CC(C)(C[C@H](CC1=CC=C(C=C1)Br)C(=O)NO)OC(=O)N

DOS

IR

Vibrations