Geometry & MOs

Info

ID:	186828
PubChem CID:	77490961
Reduced:	ClSO2N5C19H24 (1)
Stoich.:	ABC2D5E19F24 (1)
Weight, g/mol:	550.320686
ΔH_f, kcal/mol:	-23.77
Dipole, Da:	3.68
IP(EA), eV:	-8.74(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[6-[ethyl-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]amino]-3,4-dimethoxycyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

C1CN(CCN1C2CC(NC2)C(=O)N3CCSC3)C4=NC5=C(O4)C=C(C=C5)Cl

DOS

IR

Vibrations