Geometry & MOs

Info

ID:	15704
PubChem CID:	447689
Reduced:	SN3O5C13H13 (1)
Stoich.:	AB3C5D13E13 (1)
Weight, g/mol:	323.057592
ΔH_f, kcal/mol:	-135.81
Dipole, Da:	4.1
IP(EA), eV:	-9.41(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid

Drug info:

PubChemData

Smile

C1COCC2=NC(=CN21)[C@H]3C(=CN=C(CS3)C(=O)O)C(=O)O

DOS

IR

Vibrations