Geometry & MOs

Info

ID:	82528
PubChem CID:	49856140
Reduced:	ClFSN3O3H27C32 (1)
Stoich.:	ABCD3E3F27G32 (1)
Weight, g/mol:	450.179087
ΔH_f, kcal/mol:	-53.13
Dipole, Da:	3.09
IP(EA), eV:	-8.67(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-(4-aminophenyl)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/C1=CC=C(S1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl

DOS

IR

Vibrations