Geometry & MOs

Info

ID:	135074
PubChem CID:	51808937
Reduced:	SN2O5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	402.156615
ΔH_f, kcal/mol:	-135.64
Dipole, Da:	10.61
IP(EA), eV:	-9.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(4S)-2-(2,3-dihydroindol-1-yl)-4-(4-hydroxy-3-methoxyphenyl)-8-methylidene-4,9-dihydropyrimido[1,2-a][1,3,5]triazin-6-olate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N[C@@H](CO)C3=CC=CC=C3

DOS

IR

Vibrations