Geometry & MOs

Info

ID:	148973
PubChem CID:	53788644
Reduced:	SCl2O3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	391.110584
ΔH_f, kcal/mol:	-104.15
Dipole, Da:	3.47
IP(EA), eV:	-8.7(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-inden-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1O)SCCCCOC2=C(C=C(C=C2Cl)O)Cl

DOS

IR

Vibrations