Geometry & MOs

Info

ID:	445115
PubChem CID:	135264557
Reduced:	O2C3H4 (3)
Stoich.:	A2B3C4 (3)
Weight, g/mol:	642.356991
ΔH_f, kcal/mol:	-207.4
Dipole, Da:	3.51
IP(EA), eV:	-10.35(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-N-[(2S)-3-[4-[5-[4-(4-ethylcyclohexyl)phenyl]pyrimidin-2-yl]phenyl]-1-[3-(hydroxymethyl)azetidin-1-yl]-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1C(=O)OC(C(=O)O1)COCC2CO2

DOS

IR

Vibrations