Geometry & MOs

Info

ID:	238417
PubChem CID:	92741073
Reduced:	N3O4C29H35 (1)
Stoich.:	A3B4C29D35 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-118.02
Dipole, Da:	7.61
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)CN2C(=O)C3=CC=C(N3C[C@]2(C)C(=O)NC4CCCCC4)C5=CC=CO5

DOS

IR

Vibrations