Geometry & MOs

Info

ID:	238477
PubChem CID:	92741391
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	467.197569
ΔH_f, kcal/mol:	-64.2
Dipole, Da:	6.78
IP(EA), eV:	-8.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@]1(CN2C(=CC=C2C(=O)N1CC3=CC=CC=C3)C4=CC=CO4)C

DOS

IR

Vibrations