Geometry & MOs

Info

ID:	302240
PubChem CID:	124360849
Reduced:	SN4O6C21H28 (1)
Stoich.:	AB4C6D21E28 (1)
Weight, g/mol:	451.272259
ΔH_f, kcal/mol:	-265.55
Dipole, Da:	7.15
IP(EA), eV:	-8.93(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,8R)-16,18-dimethoxy-4-methyl-8-(2-phenylethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N[C@H](CCSC)C(=O)O)NC(=O)CN1C(=O)C2=CC=CC=C2NC1=O

DOS

IR

Vibrations