Geometry & MOs

Info

ID:	39054
PubChem CID:	8138579
Reduced:	N2O4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	363.071134
ΔH_f, kcal/mol:	-78.22
Dipole, Da:	7.72
IP(EA), eV:	-8.04(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C)OC(=O)C1=C2CCC(=C2NC3=CC=CC=C31)C=C4C=CC(=O)C=C4

DOS

IR

Vibrations