Geometry & MOs

Info

ID:	144515
PubChem CID:	53379802
Reduced:	O2F3N6C27H27 (1)
Stoich.:	A2B3C6D27E27 (1)
Weight, g/mol:	462.197714
ΔH_f, kcal/mol:	-109.22
Dipole, Da:	7.56
IP(EA), eV:	-8.69(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2S)-2-amino-3-thiophen-2-ylpropanoyl]-4-[(4-phenylphenyl)methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=NC(=NN2C1C3=CC=C(C=C3)C#N)CCN(C)C)C4=CC=CC(=C4)C(F)(F)F)C

DOS

IR

Vibrations