Geometry & MOs

Info

ID:	184256
PubChem CID:	77135774
Reduced:	SN2O3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-57.19
Dipole, Da:	5.14
IP(EA), eV:	-9.68(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C(=O)O)NC(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations