Geometry & MOs

Info

ID:	406194
PubChem CID:	135076856
Reduced:	NSO5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	419.176644
ΔH_f, kcal/mol:	-194.87
Dipole, Da:	3.31
IP(EA), eV:	-8.9(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[benzenesulfonyl-(5-tert-butyl-2-hydroxyphenyl)methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C(NC(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations