Geometry & MOs

Info

ID:	56503
PubChem CID:	17435987
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	366.01499
ΔH_f, kcal/mol:	-36.06
Dipole, Da:	4.46
IP(EA), eV:	-8.48(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CN(N=C1C2=CC=CC=C2)C(=O)CN3CC(OC4=CC=CC=C43)C(=O)N

DOS

IR

Vibrations