Geometry & MOs

Info

ID:	187805
PubChem CID:	77627469
Reduced:	FCl2S2N3O3C23H27 (1)
Stoich.:	AB2C2D3E3F23G27 (1)
Weight, g/mol:	547.093318
ΔH_f, kcal/mol:	-127.28
Dipole, Da:	4.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772160
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[3-cyclohexyl-2-[(4,5-dichlorothiophen-2-yl)-sulfinoamino]propanoyl]amino]ethyl]-5-fluoro-2,3-dihydroindole

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(C(=O)NCCN2CCC3=C2C=CC(=C3)F)N(C4=CC(=C(S4)Cl)Cl)S(=O)[O-]

DOS

IR

Vibrations