Geometry & MOs

Info

ID:	43846
PubChem CID:	10321874
Reduced:	O2N7C25H27 (1)
Stoich.:	A2B7C25D27 (1)
Weight, g/mol:	457.225308
ΔH_f, kcal/mol:	13.62
Dipole, Da:	9.91
IP(EA), eV:	-8.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[(2S,3R)-1-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl]phenyl]propanoate

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=C(N=CN=C21)N)C(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations