Geometry & MOs

Info

ID:	154985
PubChem CID:	56314545
Reduced:	SN2O2C27H30 (1)
Stoich.:	AB2C2D27E30 (1)
Weight, g/mol:	493.214761
ΔH_f, kcal/mol:	-18.65
Dipole, Da:	5.18
IP(EA), eV:	-8.45(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyclopropyl-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)COC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations