Geometry & MOs

Info

ID:	46666
PubChem CID:	10526103
Reduced:	SO3N5H17C21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	419.246044
ΔH_f, kcal/mol:	82.14
Dipole, Da:	12.45
IP(EA), eV:	-9.17(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-N-(cyclopropylmethoxy)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=C(S2)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])N4C=CC=C4)C

DOS

IR

Vibrations