Geometry & MOs

Info

ID:	191812
PubChem CID:	78188841
Reduced:	SN3O6C21H35 (1)
Stoich.:	AB3C6D21E35 (1)
Weight, g/mol:	443.245392
ΔH_f, kcal/mol:	-257.3
Dipole, Da:	6.62
IP(EA), eV:	-9.43(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[dimethylsulfamoyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)N(C)C

DOS

IR

Vibrations