Geometry & MOs

Info

ID:	46714
PubChem CID:	10526572
Reduced:	O2C29H48 (1)
Stoich.:	A2B29C48 (1)
Weight, g/mol:	428.18667
ΔH_f, kcal/mol:	-157.93
Dipole, Da:	2.52
IP(EA), eV:	-8.89(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[[5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]benzoyl]amino]ethyl]benzoate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(C(=C)C)O)C)C

DOS

IR

Vibrations