Geometry & MOs

Info

ID:	443068
PubChem CID:	135257597
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	410.183316
ΔH_f, kcal/mol:	-75.48
Dipole, Da:	3.21
IP(EA), eV:	-8.26(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(chloromethyl)-3-methylpyrazol-1-yl]-N-[5-hydroxy-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrimidin-2-yl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)[C@@H](C2=CC=CC=C2)N)OC

DOS

IR

Vibrations