Geometry & MOs

Info

ID:	238381
PubChem CID:	92741005
Reduced:	ClSN2O5C19H23 (1)
Stoich.:	ABC2D5E19F23 (1)
Weight, g/mol:	465.181919
ΔH_f, kcal/mol:	-204.35
Dipole, Da:	8.21
IP(EA), eV:	-8.82(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SCCO1)C(=O)NC2=C(C=C(C(=C2)OC)C(=O)NC[C@H]3CCCO3)Cl

DOS

IR

Vibrations