Geometry & MOs

Info

ID:	399748
PubChem CID:	135042270
Reduced:	SiO2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	218.08777
ΔH_f, kcal/mol:	-106.42
Dipole, Da:	5.31
IP(EA), eV:	-10.09(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,6,11,11a-hexahydropyrrolo[1,2-c][1,3]benzodiazepine-5-thione

Drug info:

PubChemData

Smile

C[C@@H]1C[C@](OC1=O)(C)CC#C[Si](C)(C)C

DOS

IR

Vibrations