Geometry & MOs

Info

ID:	44492
PubChem CID:	10503775
Reduced:	NSSiO5C22H33 (1)
Stoich.:	ABCD5E22F33 (1)
Weight, g/mol:	451.290656
ΔH_f, kcal/mol:	-230.63
Dipole, Da:	6.26
IP(EA), eV:	-9.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-benzyl-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-3-methyl-4-phenoxybut-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N[C@@H](CC#C[Si](C)(C)C)C(=O)O)C

DOS

IR

Vibrations