Geometry & MOs

Info

ID:	146244
PubChem CID:	53659208
Reduced:	F3N3O9C30H34 (1)
Stoich.:	A3B3C9D30E34 (1)
Weight, g/mol:	425.16608
ΔH_f, kcal/mol:	-402.04
Dipole, Da:	11.38
IP(EA), eV:	-9.18(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[[3-acetylsulfanyl-2-(2,3-dihydro-1H-inden-1-yl)propanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])OCCCCNCC(COC3=CC=CC=C3)O)C(=O)OC)C(F)(F)F

DOS

IR

Vibrations