Geometry & MOs

Info

ID:	317264
PubChem CID:	126635276
Reduced:	O3N4C33H36 (1)
Stoich.:	A3B4C33D36 (1)
Weight, g/mol:	331.178358
ΔH_f, kcal/mol:	-79.12
Dipole, Da:	11.02
IP(EA), eV:	-8.64(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,5S,6R)-15,16-dimethyl-7-oxa-15-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-8,10,12(19)-triene-2,5,9-triol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C4=CC=CC=C4)NCCCC(C)C(=O)N5CCCC5)NC1=O

DOS

IR

Vibrations