Geometry & MOs

Info

ID:	335151
PubChem CID:	127254012
Reduced:	NO4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	498.076469
ΔH_f, kcal/mol:	-124.93
Dipole, Da:	8.08
IP(EA), eV:	-8.87(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,8R)-7'-chloro-4',6'-dimethoxy-8-methyl-5-thiophen-3-ylspiro[1,5,8,9-tetrahydro-[1,2,4]triazolo[3,4-b]quinazoline-7,2'-1-benzofuran]-3',6-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(O2)C3=CC=CC=C3)CC(=O)O)C(=O)N1

DOS

IR

Vibrations