Geometry & MOs

Info

ID:	392455
PubChem CID:	135016550
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	540.208279
ΔH_f, kcal/mol:	40.23
Dipole, Da:	4.86
IP(EA), eV:	-9.56(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,14S,15R,16S,19R)-10-(benzenesulfonyl)-15-ethyl-19-phenyl-17-oxa-10,20-diazapentacyclo[12.7.0.03,11.04,9.016,20]henicosa-3(11),4,6,8-tetraen-21-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C(\CC2=CC=CC=C2)/[N+](=O)[O-]

DOS

IR

Vibrations