Geometry & MOs

Info

ID:	38959
PubChem CID:	8138244
Reduced:	SN2O7C17H24 (1)
Stoich.:	AB2C7D17E24 (1)
Weight, g/mol:	388.13176
ΔH_f, kcal/mol:	-273.27
Dipole, Da:	6.05
IP(EA), eV:	-9.45(-1.16)
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-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)OC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2

DOS

IR

Vibrations