Geometry & MOs

Info

ID:	213556
PubChem CID:	81064115
Reduced:	SN3O3C12H19 (1)
Stoich.:	AB3C3D12E19 (1)
Weight, g/mol:	313.0717
ΔH_f, kcal/mol:	-108.78
Dipole, Da:	2.21
IP(EA), eV:	-9.91(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(N=NS1)C(C)(C)C

DOS

IR

Vibrations