Geometry & MOs

Info

ID:	77425
PubChem CID:	48430138
Reduced:	SN2O5C19H24 (1)
Stoich.:	AB2C5D19E24 (1)
Weight, g/mol:	411.182792
ΔH_f, kcal/mol:	-172.19
Dipole, Da:	5.54
IP(EA), eV:	-8.42(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCC2=CC(=C(C=C2)OC)OC)NS(=O)(=O)C

DOS

IR

Vibrations