Geometry & MOs

Info

ID:	127893
PubChem CID:	51021569
Reduced:	NSiO2C21H33 (1)
Stoich.:	ABC2D21E33 (1)
Weight, g/mol:	420.181585
ΔH_f, kcal/mol:	-129.7
Dipole, Da:	1.28
IP(EA), eV:	-8.91(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]([C@H]1[C@H]2CC[C@H](N2C)CC1=O)C3=CC=CC=C3

DOS

IR

Vibrations