Geometry & MOs

Info

ID:	302751
PubChem CID:	124394452
Reduced:	N2O7H20C22 (1)
Stoich.:	A2B7C20D22 (1)
Weight, g/mol:	452.224597
ΔH_f, kcal/mol:	-220.55
Dipole, Da:	6.13
IP(EA), eV:	-8.97(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-[(1-methylnaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC)OC(=O)C

DOS

IR

Vibrations