Geometry & MOs

Info

ID:	82372
PubChem CID:	49855953
Reduced:	ClFSO3N4H18C26 (1)
Stoich.:	ABCD3E4F18G26 (1)
Weight, g/mol:	435.168188
ΔH_f, kcal/mol:	-2.64
Dipole, Da:	4.28
IP(EA), eV:	-8.69(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(S5)C(=O)NO)Cl

DOS

IR

Vibrations