Geometry & MOs

Info

ID:	38850
PubChem CID:	8138042
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	381.143704
ΔH_f, kcal/mol:	-69.9
Dipole, Da:	5.34
IP(EA), eV:	-8.79(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-(2-phenoxyethoxy)benzoate

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC

DOS

IR

Vibrations