Geometry & MOs

Info

ID:	306974
PubChem CID:	125264484
Reduced:	SO3N5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	388.120526
ΔH_f, kcal/mol:	-50.67
Dipole, Da:	12.96
IP(EA), eV:	-8.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[[(2R)-3-ethyl-4-oxo-2H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]amino]acetate

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CC[C@H]3[C@@H]2CC(=O)N3C4=CN=CC=C4

DOS

IR

Vibrations