Geometry & MOs

Info

ID:	301968
PubChem CID:	123105891
Reduced:	BrNS2O4C16H16 (1)
Stoich.:	ABC2D4E16F16 (1)
Weight, g/mol:	472.01261
ΔH_f, kcal/mol:	-112.63
Dipole, Da:	8.07
IP(EA), eV:	-9.15(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 2-[[2-[(4-bromophenyl)methylsulfinyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CS(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations