Geometry & MOs

Info

ID:	135518
PubChem CID:	51884322
Reduced:	ClSO2N4H23C24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	447.024489
ΔH_f, kcal/mol:	12.84
Dipole, Da:	4.26
IP(EA), eV:	-8.84(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(5-methylpyridin-2-yl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NC(=CS2)CC(=O)N[C@@H](C3=CC=C(C=C3)Cl)C4=NC=CN4C

DOS

IR

Vibrations