Geometry & MOs

Info

ID:	308275
PubChem CID:	125325445
Reduced:	ClOSN7H20C21 (1)
Stoich.:	ABCD7E20F21 (1)
Weight, g/mol:	435.147744
ΔH_f, kcal/mol:	112.77
Dipole, Da:	2.69
IP(EA), eV:	-8.68(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2N)C3=NN=C(C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations