Geometry & MOs

Info

ID:	232107
PubChem CID:	87575538
Reduced:	NaPN9O14C27H33 (1)
Stoich.:	ABC9D14E27F33 (1)
Weight, g/mol:	223.97404
ΔH_f, kcal/mol:	-661.17
Dipole, Da:	16.02
IP(EA), eV:	-9.68(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzoselenophen-6-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)[O-])O)O)O.C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)N.[Na+]

DOS

IR

Vibrations