Geometry & MOs

Info

ID:	156206
PubChem CID:	56369535
Reduced:	SN2O5C20H24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	477.240976
ΔH_f, kcal/mol:	-173.91
Dipole, Da:	7.26
IP(EA), eV:	-9.4(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(dimethylamino)ethyl-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2C)C

DOS

IR

Vibrations