Geometry & MOs

Info

ID:	132825
PubChem CID:	51427148
Reduced:	S2O3N4C17H22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	410.108248
ΔH_f, kcal/mol:	-60.96
Dipole, Da:	7.01
IP(EA), eV:	-8.44(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide

Drug info:

PubChemData

Smile

CCC(CC)C(=O)NC1=NN=C(S1)S(=O)(=O)N2[C@@H](CC3=CC=CC=C32)C

DOS

IR

Vibrations