Geometry & MOs

Info

ID:	327068
PubChem CID:	126688954
Reduced:	N3O3H15C16 (1)
Stoich.:	A3B3C15D16 (1)
Weight, g/mol:	455.085464
ΔH_f, kcal/mol:	-86.76
Dipole, Da:	8.09
IP(EA), eV:	-8.41(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)O)C)/C=C\2/C3=C(C=CC(=C3)N)NC2=O

DOS

IR

Vibrations