Geometry & MOs

Info

ID:	436368
PubChem CID:	135199395
Reduced:	FNO5C23H36 (1)
Stoich.:	ABC5D23E36 (1)
Weight, g/mol:	460.200965
ΔH_f, kcal/mol:	-306.53
Dipole, Da:	2.68
IP(EA), eV:	-9.01(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-fluorophenyl)-4-methylpentan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCC(CC)[C@@H](C1=C(C=C(C=C1)F)OC)[C@H](C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations