Geometry & MOs

Info

ID:	178775
PubChem CID:	76380823
Reduced:	BrN3O4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	480.171677
ΔH_f, kcal/mol:	-135.72
Dipole, Da:	5.78
IP(EA), eV:	-8.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[[2-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-difluoroethyl]amino]sulfanyl-2-hydroxy-1,2,3,3a,6,6a-hexahydropentalen-1-yl]-5-phenylpentan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2C=C(NO2)Br

DOS

IR

Vibrations