Geometry & MOs

Info

ID:	17575
PubChem CID:	505564
Reduced:	NCl2O4H25C26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	485.116064
ΔH_f, kcal/mol:	-132.18
Dipole, Da:	2.61
IP(EA), eV:	-9.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(3,4-dichlorophenyl)methyl-(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC2=CC=CC=C2C=C1)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations