Geometry & MOs

Info

ID:	147040
PubChem CID:	53786197
Reduced:	IO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	209.098669
ΔH_f, kcal/mol:	-88.59
Dipole, Da:	3.6
IP(EA), eV:	-8.39(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N,N'-dimethyl-N-(pyridin-3-ylmethyl)carbamimidothioate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(C2)(C)C(C)(C)I)C)OC)C

DOS

IR

Vibrations