Geometry & MOs

Info

ID:	192294
PubChem CID:	78254139
Reduced:	ClOS2N4H25C26 (1)
Stoich.:	ABC2D4E25F26 (1)
Weight, g/mol:	454.283158
ΔH_f, kcal/mol:	53.18
Dipole, Da:	4.16
IP(EA), eV:	-8.86(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(diethylamino)propyl]-1-(3-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C3=C(S2)N4C(NN=C4SCCC5=CC=CC=C5)N(C3=O)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations