Geometry & MOs

Info

ID:	32773
PubChem CID:	7848212
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	308.137222
ΔH_f, kcal/mol:	-155.56
Dipole, Da:	4.66
IP(EA), eV:	-9.49(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-methylpentanoate

Drug info:

PubChemData

Smile

C[C@H](C(C)C)NC(=O)COC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

DOS

IR

Vibrations