Geometry & MOs

Info

ID:	187880
PubChem CID:	77637805
Reduced:	Cl2N2O5H18C20 (1)
Stoich.:	A2B2C5D18E20 (1)
Weight, g/mol:	412.211055
ΔH_f, kcal/mol:	-147.75
Dipole, Da:	2.94
IP(EA), eV:	-9.34(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-acetylanilino)-1,8-dioxodecan-2-yl]-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C2=NC(=CO2)CCOC3=C(C=C(C=C3Cl)CC(C(=O)O)N)Cl

DOS

IR

Vibrations