Geometry & MOs

Info

ID:	320850
PubChem CID:	126663870
Reduced:	NC10H19 (1)
Stoich.:	AB10C19 (1)
Weight, g/mol:	654.176894
ΔH_f, kcal/mol:	13.57
Dipole, Da:	1.32
IP(EA), eV:	-8.5(2.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S,11S)-19-chloro-4-(dimethylamino)-11,14-dihydroxy-10,12-dioxo-8,16-bis(phenylmethoxy)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-18-carbaldehyde

Drug info:

PubChemData

Smile

CCN(CC1CC1)C2CCC2

DOS

IR

Vibrations