Geometry & MOs

Info

ID:	193218
PubChem CID:	78358996
Reduced:	ClOS2N3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	517.14382
ΔH_f, kcal/mol:	58.79
Dipole, Da:	1.76
IP(EA), eV:	-8.96(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-(3-ethoxy-4-propoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

C1C(C(NN1)C2=CC=CC=C2)C=C3C(=S)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations