Geometry & MOs

Info

ID:	187435
PubChem CID:	77571714
Reduced:	SO4N6C34H40 (1)
Stoich.:	AB4C6D34E40 (1)
Weight, g/mol:	533.29528
ΔH_f, kcal/mol:	-120.52
Dipole, Da:	9.99
IP(EA), eV:	-8.8(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[2-[(2,4-difluorophenyl)methyl-octylamino]-2-oxoethoxy]phenyl]-2-ethoxypropanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=CC3=C(S2)CCCC3)C4CC(C(=O)NC4)CNC5=NC=C(C=C5)C(=O)N6CCN(CC6)C(=O)C

DOS

IR

Vibrations