Geometry & MOs

Info

ID:	245354
PubChem CID:	99443813
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	484.09325
ΔH_f, kcal/mol:	-11.81
Dipole, Da:	4.48
IP(EA), eV:	-8.78(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)OC)C(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C)C

DOS

IR

Vibrations