Geometry & MOs

Info

ID:	123142
PubChem CID:	50834959
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	397.101561
ΔH_f, kcal/mol:	-52.61
Dipole, Da:	6.64
IP(EA), eV:	-8.95(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-2-[(3-chlorophenyl)methylsulfanyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)CCN(C3)CCOC

DOS

IR

Vibrations