Geometry & MOs

Info

ID:	307557
PubChem CID:	125307477
Reduced:	ClN2O4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	383.085911
ΔH_f, kcal/mol:	11.46
Dipole, Da:	4.35
IP(EA), eV:	-8.44(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-butylsulfanyl-3-(3-chlorophenyl)-2H-pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

C[C@@H](C1=C[C@@H]2C(=C3C=C(C=CC3=N2)Cl)C=C1)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations