Geometry & MOs

Info

ID:	187750
PubChem CID:	77619037
Reduced:	F2N3O4C32H39 (1)
Stoich.:	A2B3C4D32E39 (1)
Weight, g/mol:	550.351906
ΔH_f, kcal/mol:	-227.25
Dipole, Da:	2.53
IP(EA), eV:	-9.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[4-(benzylamino)-1-cyclohexyl-3-hydroxybutan-2-yl]-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)CNCC(C(CC2=CC(=CC(=C2)F)F)NC(=O)C3=CC(=CC(=C3)C)C(=O)N(C)CCOC)O

DOS

IR

Vibrations