Geometry & MOs

Info

ID:	26340
PubChem CID:	645058
Reduced:	ClO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	385.109627
ΔH_f, kcal/mol:	-39.95
Dipole, Da:	5.56
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=C(C1C2=C(N(N=C2C)C3=CC=C(C=C3)C)Cl)C#N)N)C

DOS

IR

Vibrations