Geometry & MOs

Info

ID:	404542
PubChem CID:	135066700
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	780.369936
ΔH_f, kcal/mol:	-114.47
Dipole, Da:	2.14
IP(EA), eV:	-9.04(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-methylsulfonyl-2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]azasilepin-5-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=N1)OC)C(C)(C)C)/C=C\C(=O)OC

DOS

IR

Vibrations