Geometry & MOs

Info

ID:	43634
PubChem CID:	10321573
Reduced:	NO8C23H33 (1)
Stoich.:	AB8C23D33 (1)
Weight, g/mol:	451.210721
ΔH_f, kcal/mol:	-357.72
Dipole, Da:	5.61
IP(EA), eV:	-9.75(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[6-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]pyrimidin-4-yl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@@H]([C@H](C(=O)CC(=O)OC)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations