Geometry & MOs

Info

ID:	238506
PubChem CID:	92741593
Reduced:	ClN3O3H26C28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-36.38
Dipole, Da:	5.23
IP(EA), eV:	-8.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)C3=CC=C(N3C[C@@]2(C)C(=O)NCC4=CC=C(C=C4)Cl)C5=CC=CO5

DOS

IR

Vibrations