Geometry & MOs

Info

ID:	35143
PubChem CID:	7979378
Reduced:	ClNSO4H18C21 (1)
Stoich.:	ABCD4E18F21 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-114.94
Dipole, Da:	4.11
IP(EA), eV:	-9.22(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@H](CS2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations