Geometry & MOs

Info

ID:	234130
PubChem CID:	92297791
Reduced:	SO3N6C28H34 (1)
Stoich.:	AB3C6D28E34 (1)
Weight, g/mol:	542.219702
ΔH_f, kcal/mol:	-62.1
Dipole, Da:	8.65
IP(EA), eV:	-8.45(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N([C@@H](C2=CC=C(C=C2)N(C)C)C(=O)NC3CCCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

DOS

IR

Vibrations