Geometry & MOs

Info

ID:	195638
PubChem CID:	78712925
Reduced:	ClN2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-142.41
Dipole, Da:	6.24
IP(EA), eV:	-9.27(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(=O)C)Cl)C

DOS

IR

Vibrations