Geometry & MOs

Info

ID:	238415
PubChem CID:	92741069
Reduced:	SN3O3C28H33 (1)
Stoich.:	AB3C3D28E33 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-69.01
Dipole, Da:	7.58
IP(EA), eV:	-8.39(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC=C2C(=O)N1CCC3=CC=C(C=C3)SC)C4=CC=CO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations