Geometry & MOs

Info

ID:	423710
PubChem CID:	135120058
Reduced:	SO3N4C15H26 (1)
Stoich.:	AB3C4D15E26 (1)
Weight, g/mol:	398.210661
ΔH_f, kcal/mol:	-100.78
Dipole, Da:	6.2
IP(EA), eV:	-8.64(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-cyclopropylpyrrol-2-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations