Geometry & MOs

Info

ID:	38962
PubChem CID:	8138249
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	354.132805
ΔH_f, kcal/mol:	-76.81
Dipole, Da:	3.84
IP(EA), eV:	-9.54(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)C)OC(=O)C1=CC2=C(C=C1)N=CS2

DOS

IR

Vibrations