Geometry & MOs

Info

ID:	158997
PubChem CID:	57244473
Reduced:	N3O4C16H21 (1)
Stoich.:	A3B4C16D21 (1)
Weight, g/mol:	431.106553
ΔH_f, kcal/mol:	-148.68
Dipole, Da:	3.37
IP(EA), eV:	-8.05(0.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2-amino-N-[4-(4-methylbenzoyl)naphthalen-1-yl]anilino) sulfite

Drug info:

PubChemData

Smile

CCC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(C=C2)N(CCO3)C

DOS

IR

Vibrations