Geometry & MOs

Info

ID:	327635
PubChem CID:	126690573
Reduced:	IN2O3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	718.250201
ΔH_f, kcal/mol:	-128.61
Dipole, Da:	4.22
IP(EA), eV:	-9.51(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-heptoxybenzoyl)oxycyclohexa-1,2,3,5-tetraen-1-yl]methyl-[4-[[4-methoxy-2-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(CCNC(=O)C1CCC(CC1)CN2C(=O)C=CC2=O)I

DOS

IR

Vibrations