Geometry & MOs

Info

ID:	194222
PubChem CID:	78501007
Reduced:	OSN3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	426.2341
ΔH_f, kcal/mol:	15.44
Dipole, Da:	5.15
IP(EA), eV:	-8.37(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-perimidin-2-ylsulfanylmethyl)-7-methyl-6-propan-2-ylchromen-2-one

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C(=O)CSC1=NC2=CC=CC3=CC=CC(=N1)C32

DOS

IR

Vibrations