Geometry & MOs

Info

ID:	221459
PubChem CID:	85273731
Reduced:	NSO4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	309.194008
ΔH_f, kcal/mol:	-137.41
Dipole, Da:	5.47
IP(EA), eV:	-10.0(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-hydroxy-3-methyl-1-phenylmethoxybutan-2-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OCC1=CC2=CC=CC=C2S1(=O)=O)N

DOS

IR

Vibrations