Geometry & MOs

Info

ID:	32476
PubChem CID:	7837961
Reduced:	N2S2O5C17H20 (1)
Stoich.:	A2B2C5D17E20 (1)
Weight, g/mol:	390.134635
ΔH_f, kcal/mol:	-163.22
Dipole, Da:	10.18
IP(EA), eV:	-9.19(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N'-[(5S,7R)-3-chloroadamantane-1-carbonyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)O[C@@H](C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations