Geometry & MOs

Info

ID:	237838
PubChem CID:	92721875
Reduced:	SO2N3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	493.239913
ΔH_f, kcal/mol:	-35.85
Dipole, Da:	1.5
IP(EA), eV:	-8.54(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-2-[2-(4-methylsulfanylphenyl)ethyl]-1-oxo-N-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@@]1(CN2C3=CC=CC=C3C=C2C(=O)N1C4=CC(=CC=C4)SC)C

DOS

IR

Vibrations