Geometry & MOs

Info

ID:	302002
PubChem CID:	123109374
Reduced:	NSO4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	402.150095
ΔH_f, kcal/mol:	-133.88
Dipole, Da:	6.95
IP(EA), eV:	-8.77(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[(4-propoxycarbonylphenyl)methylsulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=C(C=C1)CS(=O)CC(=O)NC(C)C2=CC=CC=C2

DOS

IR

Vibrations