Geometry & MOs

Info

ID:	219113
PubChem CID:	85090592
Reduced:	SN5O10C22H37 (1)
Stoich.:	AB5C10D22E37 (1)
Weight, g/mol:	563.251917
ΔH_f, kcal/mol:	-468.07
Dipole, Da:	6.13
IP(EA), eV:	-8.63(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-(3-phenylpropyl)-4-[4-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methoxy]phenyl]azetidin-2-one

Drug info:

PubChemData

Smile

CC(C(C(=O)O)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)N)O

DOS

IR

Vibrations