Geometry & MOs

Info

ID:	195291
PubChem CID:	78669811
Reduced:	OSCl2N5C12H13 (1)
Stoich.:	ABC2D5E12F13 (1)
Weight, g/mol:	381.132471
ΔH_f, kcal/mol:	16.62
Dipole, Da:	5.69
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)SC(C)C(=O)NC2=C(C=C(C=N2)Cl)Cl

DOS

IR

Vibrations