Geometry & MOs

Info

ID:	133082
PubChem CID:	51474559
Reduced:	N2O4H18C23 (1)
Stoich.:	A2B4C18D23 (1)
Weight, g/mol:	402.208947
ΔH_f, kcal/mol:	-16.12
Dipole, Da:	6.55
IP(EA), eV:	-8.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-cyclohexyl-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

C1[C@H]2C3=CC=CC=C3O[C@H](N2NC1=C4C=CC(=O)C=C4)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations