Geometry & MOs

Info

ID:	151223
PubChem CID:	53790923
Reduced:	NO2C25H33 (1)
Stoich.:	AB2C25D33 (1)
Weight, g/mol:	508.127269
ΔH_f, kcal/mol:	-83.87
Dipole, Da:	1.19
IP(EA), eV:	-8.86(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-4-methyl-2-[[4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylamino]pentanoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CC

DOS

IR

Vibrations