Geometry & MOs

Info

ID:	190421
PubChem CID:	78002956
Reduced:	Br2N2S2O5C24H24 (1)
Stoich.:	A2B2C2D5E24F24 (1)
Weight, g/mol:	396.185608
ΔH_f, kcal/mol:	-147.2
Dipole, Da:	2.95
IP(EA), eV:	-8.87(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[7-chloro-6-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-4-yl]oxan-2-yl]methanol

Drug info:

PubChemData

Smile

C1CC2C(CC1S(=O)(=O)CC3=C(C=CC=C3Br)Br)SC(=CC4=CC=C(C=C4)NCC(=O)O)C(=O)N2

DOS

IR

Vibrations