Geometry & MOs

Info

ID:	237837
PubChem CID:	92721864
Reduced:	O2N3C28H33 (1)
Stoich.:	A2B3C28D33 (1)
Weight, g/mol:	435.198048
ΔH_f, kcal/mol:	-41.74
Dipole, Da:	5.89
IP(EA), eV:	-8.59(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-N-(3-methylbutyl)-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N2C(=O)C3=CC4=CC=CC=C4N3C[C@]2(C)C(=O)NC5CCCCCC5

DOS

IR

Vibrations