Geometry & MOs

Info

ID:	32424
PubChem CID:	7814631
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	400.163436
ΔH_f, kcal/mol:	-75.36
Dipole, Da:	9.6
IP(EA), eV:	-8.72(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-tert-butylbenzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=NN=C2S[C@@H](C)C(=O)OC)C3=CC(=CC=C3)OC

DOS

IR

Vibrations