Geometry & MOs

Info

ID:	308274
PubChem CID:	125325337
Reduced:	O3N5H13C15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	453.113857
ΔH_f, kcal/mol:	-34.83
Dipole, Da:	2.06
IP(EA), eV:	-9.2(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(NC3=C([C@H]2C4=CC(=CC=C4)O)C(=O)NC(=O)N3)N=N1

DOS

IR

Vibrations