Geometry & MOs

Info

ID:	81907
PubChem CID:	49855335
Reduced:	S2N4O5C17H28 (1)
Stoich.:	A2B4C5D17E28 (1)
Weight, g/mol:	660.265794
ΔH_f, kcal/mol:	-216.62
Dipole, Da:	1.73
IP(EA), eV:	-8.36(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid;4-(4-aminophenyl)sulfonylaniline

Drug info:

PubChemData

Smile

C1CSSC1CCCCC(=O)O.C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN

DOS

IR

Vibrations