Geometry & MOs

Info

ID:	43178
PubChem CID:	10319139
Reduced:	F2N2S2O3H12C18 (1)
Stoich.:	A2B2C2D3E12F18 (1)
Weight, g/mol:	406.152872
ΔH_f, kcal/mol:	-145.64
Dipole, Da:	5.04
IP(EA), eV:	-9.36(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2S)-1-(2-oxochromen-4-yl)pyrrolidine-2-carbonyl]amino]-2-phenylacetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C(=O)C(S2)CC(=O)O)CC3=NC4=C(S3)C=CC(=C4F)F

DOS

IR

Vibrations