Geometry & MOs

Info

ID:	194490
PubChem CID:	78544723
Reduced:	NSO6H17C19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	370.152872
ΔH_f, kcal/mol:	-166.5
Dipole, Da:	6.7
IP(EA), eV:	-9.41(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3O

DOS

IR

Vibrations