Geometry & MOs

Info

ID:	144581
PubChem CID:	53386819
Reduced:	ClO4H21C26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	448.107752
ΔH_f, kcal/mol:	-82.18
Dipole, Da:	4.71
IP(EA), eV:	-9.27(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(R)-(4-chlorophenyl)-[(3S)-7-methoxy-2-oxo-3-phenyl-1-benzofuran-3-yl]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=O)[C@]2(C3=CC=CC=C3)[C@H](C4=CC=C(C=C4)Cl)C(=C)C(=O)OC

DOS

IR

Vibrations