Geometry & MOs

Info

ID:	59027
PubChem CID:	24770352
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	412.163436
ΔH_f, kcal/mol:	-75.11
Dipole, Da:	2.41
IP(EA), eV:	-8.6(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,12R,19S,21R,24R)-21-hydroxy-20-oxo-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9-triene-21-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC(=C(C=C1)CC=C)O

DOS

IR

Vibrations