Geometry & MOs

Info

ID:	83141
PubChem CID:	49857200
Reduced:	N5C9H17 (1)
Stoich.:	A5B9C17 (1)
Weight, g/mol:	514.152004
ΔH_f, kcal/mol:	31.02
Dipole, Da:	4.64
IP(EA), eV:	-8.68(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(2S,4R)-4-fluoro-2-[4-[(5-fluoro-1,3-thiazol-2-yl)carbamoyl]-5-methylthiophen-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-pentylamino]acetic acid

Drug info:

PubChemData

Smile

CN(C)CCCNC1=NC(=NC=C1)N

DOS

IR

Vibrations