Geometry & MOs

Info

ID:	238401
PubChem CID:	92741039
Reduced:	N3O4C27H31 (1)
Stoich.:	A3B4C27D31 (1)
Weight, g/mol:	449.21147
ΔH_f, kcal/mol:	-100.93
Dipole, Da:	4.82
IP(EA), eV:	-8.73(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC=C2C(=O)N1CC3=CC(=CC=C3)OC)C4=CC=CO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations