Geometry & MOs

Info

ID:	238426
PubChem CID:	92741134
Reduced:	N3O3C25H35 (1)
Stoich.:	A3B3C25D35 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-113.11
Dipole, Da:	5.63
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)[C@]2(CN3C(=CC=C3C(=O)N2CCC(C)C)C4=CC=CO4)C

DOS

IR

Vibrations