Geometry & MOs

Info

ID:	73608
PubChem CID:	48419488
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	326.093643
ΔH_f, kcal/mol:	-53.96
Dipole, Da:	2.35
IP(EA), eV:	-8.39(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)sulfinyl-N-[1-(oxolan-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C(C)N2CCC3=CC=CC=C32

DOS

IR

Vibrations