Geometry & MOs

Info

ID:	245613
PubChem CID:	99455604
Reduced:	N2O4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	423.22887
ΔH_f, kcal/mol:	-162.46
Dipole, Da:	5.21
IP(EA), eV:	-8.45(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2R)-1-[[(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NC[C@@H](C)N2C[C@H](O[C@@H](C2)C)C)OC

DOS

IR

Vibrations