Geometry & MOs

Info

ID:	431129
PubChem CID:	135171199
Reduced:	NSO5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	353.129694
ΔH_f, kcal/mol:	-194.07
Dipole, Da:	7.73
IP(EA), eV:	-9.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-(1,1,5-trioxothian-3-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2=CC(=O)CS(=O)(=O)C2

DOS

IR

Vibrations