Geometry & MOs

Info

ID:	36241
PubChem CID:	7982311
Reduced:	ClOS2N4H13C14 (1)
Stoich.:	ABC2D4E13F14 (1)
Weight, g/mol:	383.081888
ΔH_f, kcal/mol:	53.52
Dipole, Da:	4.78
IP(EA), eV:	-8.53(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-carbamoyl-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations