Geometry & MOs

Info

ID:	177262
PubChem CID:	76155834
Reduced:	SN4O7C23H30 (1)
Stoich.:	AB4C7D23E30 (1)
Weight, g/mol:	571.259483
ΔH_f, kcal/mol:	-286.53
Dipole, Da:	6.27
IP(EA), eV:	-8.74(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-fluorophenyl)phenyl]methyl]-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)C(CC(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations