Geometry & MOs

Info

ID:	431122
PubChem CID:	135171192
Reduced:	NSO3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	355.145344
ΔH_f, kcal/mol:	-110.6
Dipole, Da:	7.48
IP(EA), eV:	-8.95(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2=CC(=O)CSC2

DOS

IR

Vibrations