Geometry & MOs

Info

ID:	155745
PubChem CID:	56367298
Reduced:	BrO2N5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	410.152495
ΔH_f, kcal/mol:	8.31
Dipole, Da:	5.43
IP(EA), eV:	-9.11(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-pyridin-3-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC(=O)NC3=CN=CC=C3)C)Br

DOS

IR

Vibrations