Geometry & MOs

Info

ID:	187412
PubChem CID:	77571202
Reduced:	N3O4C13H25 (1)
Stoich.:	A3B4C13D25 (1)
Weight, g/mol:	497.202522
ΔH_f, kcal/mol:	-209.37
Dipole, Da:	2.14
IP(EA), eV:	-9.1(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-2-[[4-[2-[ethyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethoxy]phenyl]methyl]butanoic acid

Drug info:

PubChemData

Smile

CC(CCNC(=O)O)CC(=O)NC1CCCNCC1O

DOS

IR

Vibrations