Geometry & MOs

Info

ID:	335502
PubChem CID:	127254364
Reduced:	OSN3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	377.157326
ΔH_f, kcal/mol:	9.64
Dipole, Da:	4.38
IP(EA), eV:	-8.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-fluoro-4-morpholin-4-ylphenyl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CCCCCN2C=CC=C2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations