Geometry & MOs

Info

ID:	89405
PubChem CID:	49961473
Reduced:	S2N5O5C26H29 (1)
Stoich.:	A2B5C5D26E29 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-117.12
Dipole, Da:	5.83
IP(EA), eV:	-9.38(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[4-(tert-butylsulfamoyl)phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3)C

DOS

IR

Vibrations