Geometry & MOs

Info

ID:	228889
PubChem CID:	87566105
Reduced:	BrNPF2O4C23H29 (1)
Stoich.:	ABCD2E4F23G29 (1)
Weight, g/mol:	580.136368
ΔH_f, kcal/mol:	-320.94
Dipole, Da:	7.33
IP(EA), eV:	-9.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=C(C=C(C=C1)CCN(CC)C(=O)CC2=CC=CC=C2)Br)(F)F)O

DOS

IR

Vibrations