Geometry & MOs

Info

ID:	379739
PubChem CID:	134463406
Reduced:	NSF3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	445.107183
ΔH_f, kcal/mol:	-133.55
Dipole, Da:	4.98
IP(EA), eV:	-8.38(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylphenyl)-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C(N2)C3CCCC3)[C@H](CC(F)(F)F)C4=CC=CS4

DOS

IR

Vibrations