Geometry & MOs

Info

ID:	61996
PubChem CID:	26716774
Reduced:	SN2O6C22H22 (1)
Stoich.:	AB2C6D22E22 (1)
Weight, g/mol:	375.114044
ΔH_f, kcal/mol:	-172.29
Dipole, Da:	6.25
IP(EA), eV:	-9.45(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[3-(benzenesulfonyl)propanoylamino]benzoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

DOS

IR

Vibrations