Geometry & MOs

Info

ID:	390043
PubChem CID:	134996792
Reduced:	NOSiC24H37 (1)
Stoich.:	ABCD24E37 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	-60.04
Dipole, Da:	0.12
IP(EA), eV:	-8.8(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8aS)-5-tert-butyl-8,8-dimethyl-3a,8a-dihydrothieno[3,2-c]azepin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(CCC=C)/C=C/1\CN(CC1=C)CC2=CC=CC=C2

DOS

IR

Vibrations