Geometry & MOs

Info

ID:	402457
PubChem CID:	135056035
Reduced:	SN4O6C23H28 (1)
Stoich.:	AB4C6D23E28 (1)
Weight, g/mol:	481.238196
ΔH_f, kcal/mol:	-91.86
Dipole, Da:	10.8
IP(EA), eV:	-8.22(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (3S)-3-[bis(3,5-dimethylphenyl)phosphorylamino]-3-(furan-2-yl)butanoate

Drug info:

PubChemData

Smile

CO/C(=C(\C[N+]12CCN(CC1)CC2)/[C@H](C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])/[O-]

DOS

IR

Vibrations