Geometry & MOs

Info

ID:	162952
PubChem CID:	57580997
Reduced:	NSO7H25C26 (1)
Stoich.:	ABC7D25E26 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-191.93
Dipole, Da:	6.81
IP(EA), eV:	-8.41(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-16-yl)oxy]ethanol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC3=C2CN4CCC5=CC6=C(C=C5C4C3)OCO6)OC

DOS

IR

Vibrations