Geometry & MOs

Info

ID:	193059
PubChem CID:	78337595
Reduced:	ClO3N6C18H23 (1)
Stoich.:	AB3C6D18E23 (1)
Weight, g/mol:	621.141998
ΔH_f, kcal/mol:	-56.97
Dipole, Da:	7.32
IP(EA), eV:	-9.15(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[4-[[7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-8-yl]oxy]-3-methoxyphenyl]methylideneamino]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=NNC2=NC3C(N2C)C(=O)N(C(=O)N3C)C)C)Cl

DOS

IR

Vibrations