Geometry & MOs

Info

ID:	240579
PubChem CID:	93608050
Reduced:	FO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	337.157246
ΔH_f, kcal/mol:	-87.31
Dipole, Da:	1.82
IP(EA), eV:	-9.36(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)butanamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(=O)[C@@H]2CC(=O)NC3=C2C=CC(=C3)F

DOS

IR

Vibrations