Geometry & MOs

Info

ID:	17576
PubChem CID:	505620
Reduced:	Cl2N2O5C25H28 (1)
Stoich.:	A2B2C5D25E28 (1)
Weight, g/mol:	506.137527
ΔH_f, kcal/mol:	-193.32
Dipole, Da:	3.7
IP(EA), eV:	-9.34(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[N-[(3,4-dichlorophenyl)methyl]-3-(dimethylcarbamoyl)-4-methylanilino]-2,4-dioxobutanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C(=O)OC(C)(C)C)C(=O)N(C)C

DOS

IR

Vibrations