Geometry & MOs

Info

ID:	139073
PubChem CID:	52469243
Reduced:	ClN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	377.152161
ΔH_f, kcal/mol:	-118.07
Dipole, Da:	4.0
IP(EA), eV:	-9.3(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-ethyl-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]propanamide

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CO1)NC(=O)C[C@@H](C2=CC=C(C=C2)Cl)NC(=O)C

DOS

IR

Vibrations