Geometry & MOs

Info

ID:	202982
PubChem CID:	79756362
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-150.48
Dipole, Da:	3.17
IP(EA), eV:	-9.22(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-ethyl-4-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCNC(=O)CC(C)(C(C)C)C(=O)O

DOS

IR

Vibrations