Geometry & MOs

Info

ID:	193948
PubChem CID:	78459496
Reduced:	SN4O5C17H27 (1)
Stoich.:	AB4C5D17E27 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	-162.11
Dipole, Da:	7.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753169
Charge, e:	0

Chem-info

IUPAC name:

3,3,6,6-tetramethyl-9-(5-nitrothiophen-2-yl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC[NH+](C)C

DOS

IR

Vibrations