Geometry & MOs

Info

ID:	46312
PubChem CID:	10523828
Reduced:	FPN2O2S3C13H18 (1)
Stoich.:	ABC2D2E3F13G18 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-147.96
Dipole, Da:	2.83
IP(EA), eV:	-8.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,15S,16S,20S)-10-ethoxy-19-(methoxymethyl)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2,4,6,8,10,18-hexaene

Drug info:

PubChemData

Smile

CCOP(=S)(OCC)S/C(=N\N=C\C1=CC=C(C=C1)F)/SC

DOS

IR

Vibrations