Geometry & MOs

Info

ID:	120978
PubChem CID:	50752426
Reduced:	ClO2N4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	491.14611
ΔH_f, kcal/mol:	20.55
Dipole, Da:	5.24
IP(EA), eV:	-8.8(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[[4-ethyl-5-[(4-fluoro-N-methylsulfonylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)CN3C(=O)N=C(C=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations