Geometry & MOs

Info

ID:	41475
PubChem CID:	8145938
Reduced:	ClO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	388.111973
ΔH_f, kcal/mol:	-42.35
Dipole, Da:	10.1
IP(EA), eV:	-8.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N/N=C(\C)/CC(=O)NC2=C(C=CC(=C2)Cl)C

DOS

IR

Vibrations