Geometry & MOs

Info

ID:	63163
PubChem CID:	26746564
Reduced:	SN3O7C24H25 (1)
Stoich.:	AB3C7D24E25 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-172.17
Dipole, Da:	5.37
IP(EA), eV:	-9.24(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NNC(=O)C3=CC=C(O3)COC4=CC=CC=C4

DOS

IR

Vibrations