Geometry & MOs

Info

ID:	431804
PubChem CID:	135171910
Reduced:	O3N5C23H37 (1)
Stoich.:	A3B5C23D37 (1)
Weight, g/mol:	409.239913
ΔH_f, kcal/mol:	-104.67
Dipole, Da:	5.96
IP(EA), eV:	-8.22(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-amino-4-[2-methylpropyl-(1-methylsulfinylpiperidin-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)NC2=NNC(=N2)CCOC

DOS

IR

Vibrations