Geometry & MOs

Info

ID:	44142
PubChem CID:	10501130
Reduced:	NSSiO2C22H29 (1)
Stoich.:	ABCD2E22F29 (1)
Weight, g/mol:	401.1833
ΔH_f, kcal/mol:	-77.99
Dipole, Da:	4.61
IP(EA), eV:	-9.37(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S,5R)-5-[[(1S,2S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]selanyl]octan-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)[Si](C)(C)C4=CC=CC=C4

DOS

IR

Vibrations