Geometry & MOs

Info

ID:	398386
PubChem CID:	135033048
Reduced:	SN2O4C23H38 (1)
Stoich.:	AB2C4D23E38 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-184.5
Dipole, Da:	3.3
IP(EA), eV:	-9.34(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-oxo-5,9b-dihydro-1H-pyrimido[5,4-b]indole-4a-carboxylate

Drug info:

PubChemData

Smile

CCCC/C=C/C(CCCC)N(NC(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations