Geometry & MOs

Info

ID:	224095
PubChem CID:	85338119
Reduced:	SN3O8C29H39 (1)
Stoich.:	AB3C8D29E39 (1)
Weight, g/mol:	589.285991
ΔH_f, kcal/mol:	-295.74
Dipole, Da:	7.12
IP(EA), eV:	-8.52(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[1-(4-chlorophenyl)-3-(methylamino)propan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]-4-(4-ethylphenyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3(CCCNC3)S(=O)(=O)CCN4CCOCC4

DOS

IR

Vibrations