Geometry & MOs

Info

ID:	45057
PubChem CID:	10507607
Reduced:	N4O6C33H40 (1)
Stoich.:	A4B6C33D40 (1)
Weight, g/mol:	588.294785
ΔH_f, kcal/mol:	-198.75
Dipole, Da:	5.39
IP(EA), eV:	-8.86(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[2-[2-[2-(N-methylanilino)-2-oxoethoxy]-N-(3-methylhexyl)anilino]-2-oxoethyl]carbamoylamino]phenyl]acetic acid

Drug info:

PubChemData

Smile

CCC(C)CCN(C1=CC=CC=C1OCC(=O)N(C)C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=CC(=C3)CC(=O)OC

DOS

IR

Vibrations