Geometry & MOs

Info

ID:	349223
PubChem CID:	127274949
Reduced:	SN3O5C14H23 (1)
Stoich.:	AB3C5D14E23 (1)
Weight, g/mol:	318.132805
ΔH_f, kcal/mol:	-176.02
Dipole, Da:	4.87
IP(EA), eV:	-9.46(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-(2-methyl-1,4-oxazepane-4-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)[C@H](C)NS(=O)(=O)C2=C(ON=C2C)C

DOS

IR

Vibrations