Geometry & MOs

Info

ID:	340204
PubChem CID:	127262213
Reduced:	SN2O4C8H10 (1)
Stoich.:	AB2C4D8E10 (1)
Weight, g/mol:	196.157563
ΔH_f, kcal/mol:	-92.31
Dipole, Da:	4.45
IP(EA), eV:	-9.36(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-ynyl N,N-di(propan-2-yl)carbamimidate

Drug info:

PubChemData

Smile

CS(=O)(=O)O/N=C(\N)/OC1=CC=CC=C1

DOS

IR

Vibrations