Geometry & MOs

Info

ID:	191701
PubChem CID:	78179544
Reduced:	SN4O7C18H24 (1)
Stoich.:	AB4C7D18E24 (1)
Weight, g/mol:	318.117549
ΔH_f, kcal/mol:	-266.87
Dipole, Da:	4.03
IP(EA), eV:	-9.3(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dioxo-1,2,4-triazinan-2-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1N2C(=O)NC(=O)C(N2)SCC3=CC=CC=C3)CO)O)O

DOS

IR

Vibrations