Geometry & MOs

Info

ID:	137495
PubChem CID:	52214447
Reduced:	Cl2N3O5H17C18 (1)
Stoich.:	A2B3C5D17E18 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	-126.9
Dipole, Da:	6.38
IP(EA), eV:	-9.57(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)Cl)Cl)NC(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

DOS

IR

Vibrations