Geometry & MOs

Info

ID:	134042
PubChem CID:	51629459
Reduced:	ClNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	429.081698
ΔH_f, kcal/mol:	-109.87
Dipole, Da:	2.87
IP(EA), eV:	-9.24(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-nitrophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC(=O)C[C@H](C2=CC=C(C=C2)Cl)NC(=O)C

DOS

IR

Vibrations