Geometry & MOs

Info

ID:	35081
PubChem CID:	7979283
Reduced:	FNSO3H18C20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	382.075406
ΔH_f, kcal/mol:	-121.75
Dipole, Da:	4.08
IP(EA), eV:	-9.24(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-butoxy-3-chloro-5-methoxybenzoyl)thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

C1C[C@]2(N(C1=O)[C@H](CS2)C(=O)OCC3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations