Geometry & MOs

Info

ID:	189840
PubChem CID:	77912763
Reduced:	S2N3O3C24H27 (1)
Stoich.:	A2B3C3D24E27 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-45.04
Dipole, Da:	5.19
IP(EA), eV:	-8.82(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methyl-5-[4-(phenoxymethyl)triazol-1-yl]pent-2-enyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CCN(CC)CCCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)N)SC2=S

DOS

IR

Vibrations