Geometry & MOs

Info

ID:	67873
PubChem CID:	46507344
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	423.088892
ΔH_f, kcal/mol:	-21.96
Dipole, Da:	4.0
IP(EA), eV:	-8.35(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)N2CCN(CC2)C3=CC=C(S3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations