Geometry & MOs

Info

ID:	236888
PubChem CID:	92715455
Reduced:	ClSN2O2C25H29 (1)
Stoich.:	ABC2D2E25F29 (1)
Weight, g/mol:	440.194737
ΔH_f, kcal/mol:	-66.72
Dipole, Da:	6.39
IP(EA), eV:	-9.14(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11bS)-3-(3,4-dimethoxyphenyl)-9,10-diethoxy-1,6,7,11b-tetrahydropyrimido[6,1-a]isoquinoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)CSC[C@@]2(C3=CC=C(C=C3)Cl)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations