Geometry & MOs

Info

ID:	414490
PubChem CID:	135087448
Reduced:	SO4N6C27H38 (1)
Stoich.:	AB4C6D27E38 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-112.05
Dipole, Da:	2.73
IP(EA), eV:	-8.84(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)C(=O)C4CCC4)N=N3

DOS

IR

Vibrations