Geometry & MOs

Info

ID:	37337
PubChem CID:	8019867
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	330.103814
ΔH_f, kcal/mol:	-103.58
Dipole, Da:	6.38
IP(EA), eV:	-8.28(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations