Geometry & MOs

Info

ID:	392866
PubChem CID:	135018231
Reduced:	NSO2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-25.96
Dipole, Da:	3.79
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(9R,12R,16S)-3,4,5,14-tetramethoxy-13-oxo-9-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(C2=CCCCC2)C(=O)C3=CSC=C3

DOS

IR

Vibrations