Geometry & MOs

Info

ID:	137533
PubChem CID:	52221916
Reduced:	SN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	372.125612
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	4.12
IP(EA), eV:	-8.14(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-ethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CNC(=O)N2CCC[C@@H]2C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations