Geometry & MOs

Info

ID:	192488
PubChem CID:	78275013
Reduced:	SN2O4C19H29 (1)
Stoich.:	AB2C4D19E29 (1)
Weight, g/mol:	379.171834
ΔH_f, kcal/mol:	-159.95
Dipole, Da:	3.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755991
Charge, e:	0

Chem-info

IUPAC name:

2-[[benzyl(methyl)amino]methyl]-5-(4-methylphenyl)-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C[NH+]3CC(OC(C3)C)C

DOS

IR

Vibrations