Geometry & MOs

Info

ID:	66012
PubChem CID:	46488116
Reduced:	BrN2O4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	397.073242
ΔH_f, kcal/mol:	-84.87
Dipole, Da:	2.25
IP(EA), eV:	-8.81(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N'-[2-(2-phenylphenoxy)acetyl]thiophene-3-carbohydrazide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations