Geometry & MOs

Info

ID:	308434
PubChem CID:	125327922
Reduced:	ClSO3N6H19C22 (1)
Stoich.:	ABC3D6E19F22 (1)
Weight, g/mol:	463.120192
ΔH_f, kcal/mol:	-24.94
Dipole, Da:	4.34
IP(EA), eV:	-9.09(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-5-[[(2S)-3-(4-methoxyphenyl)-4-oxo-2H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]-2,3-dihydrofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=NC(=O)NC(=O)C4

DOS

IR

Vibrations