Geometry & MOs

Info

ID:	69188
PubChem CID:	46530385
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	444.168522
ΔH_f, kcal/mol:	-62.18
Dipole, Da:	2.6
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-[[2-(3,4-dimethylbenzoyl)benzoyl]amino]benzoyl]amino]acetate

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=C(C=C2)CNC(=O)C3CC(=O)N(C3)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations