Geometry & MOs

Info

ID:	440885
PubChem CID:	135232015
Reduced:	SN4O4C23H36 (1)
Stoich.:	AB4C4D23E36 (1)
Weight, g/mol:	422.11227
ΔH_f, kcal/mol:	-123.59
Dipole, Da:	6.91
IP(EA), eV:	-8.84(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6R)-2,6-dimethyl-4,4-dioxo-6-(8-prop-1-ynyldibenzothiophen-2-yl)-4lambda6-thia-7-azaspiro[2.5]oct-7-en-8-amine

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/CSCC(C(=O)O)N=C(NC#N)N(C)CC(=O)O)/C)/C)C

DOS

IR

Vibrations