Geometry & MOs

Info

ID:	83143
PubChem CID:	49857202
Reduced:	FS2N4O4C22H29 (1)
Stoich.:	AB2C4D4E22F29 (1)
Weight, g/mol:	425.09916
ΔH_f, kcal/mol:	-184.8
Dipole, Da:	6.7
IP(EA), eV:	-9.13(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-2-methylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCN(CC(=O)N1CCCC1C2=CC(=C(S2)C)C(=O)NC3=NC=C(S3)F)CC(=O)O

DOS

IR

Vibrations