Geometry & MOs

Info

ID:	187572
PubChem CID:	77593361
Reduced:	SCl2N2O5C28H30 (1)
Stoich.:	AB2C2D5E28F30 (1)
Weight, g/mol:	509.149317
ΔH_f, kcal/mol:	-199.33
Dipole, Da:	3.65
IP(EA), eV:	-9.84(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-2-[[3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]propyl]amino]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCC(C(=O)O)NC(=O)C1=CC=C(S1)C(C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations