Geometry & MOs

Info

ID:	364020
PubChem CID:	127313691
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	386.121275
ΔH_f, kcal/mol:	-23.34
Dipole, Da:	5.42
IP(EA), eV:	-9.46(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)C(C2=CC=CC=C2)C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations