Geometry & MOs

Info

ID:	395757
PubChem CID:	135026467
Reduced:	FeO2P4C43H48 (1)
Stoich.:	AB2C4D43E48 (1)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	69.36
Dipole, Da:	7.67
IP(EA), eV:	-6.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(3S)-3-anilino-1-ethoxy-3-phenylpropyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[PH+](CC[PH+](CC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)CC[PH+](C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.C(=O)O.[Fe]

DOS

IR

Vibrations