Geometry & MOs

Info

ID:	243690
PubChem CID:	99234021
Reduced:	FN2O4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	497.252586
ΔH_f, kcal/mol:	-213.51
Dipole, Da:	3.91
IP(EA), eV:	-9.31(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CCC[C@H](C3)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations