Geometry & MOs

Info

ID:	185652
PubChem CID:	77325289
Reduced:	NSiO5C32H46 (1)
Stoich.:	ABC5D32E46 (1)
Weight, g/mol:	663.349464
ΔH_f, kcal/mol:	-241.72
Dipole, Da:	2.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758694
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(2,3-dimethylbenzoyl)-2-methyl-3-(2-tritylsulfanylpropyl)piperazin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)CCC(C)(C)CC(C1(CCOC1=O)O[Si](C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations