Geometry & MOs

Info

ID:	83144
PubChem CID:	49857203
Reduced:	FS2O3N5C17H20 (1)
Stoich.:	AB2C3D5E17F20 (1)
Weight, g/mol:	464.045825
ΔH_f, kcal/mol:	-122.36
Dipole, Da:	4.61
IP(EA), eV:	-9.51(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2S,4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-2-methylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C2CCCN2C(=O)[C@H](C)NC(=O)N)C(=O)NC3=NC=C(S3)F

DOS

IR

Vibrations