Geometry & MOs

Info

ID:	303805
PubChem CID:	124490199
Reduced:	SO2N3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	203.098
ΔH_f, kcal/mol:	47.5
Dipole, Da:	4.72
IP(EA), eV:	-8.91(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(thietan-3-ylmethyl)carbamate

Drug info:

PubChemData

Smile

C[C@H]1C(=NC(=NS1)OC2=CN=CC=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations