Geometry & MOs

Info

ID:	164710
PubChem CID:	74442080
Reduced:	O2S2N5C21H25 (1)
Stoich.:	A2B2C5D21E25 (1)
Weight, g/mol:	459.215806
ΔH_f, kcal/mol:	-10.53
Dipole, Da:	7.41
IP(EA), eV:	-8.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantylcarbamoyl)-2-[(9-oxo-2H-acridin-2-yl)oxy]propanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)SCC(=O)N(C)CC2NC3C=CSC3C(=O)N2)CC4=CC=CC=C4

DOS

IR

Vibrations