Geometry & MOs

Info

ID:

415937

PubChem CID:

135088939

Reduced:

SO5N7C36H43 (1)

Stoich.:

AB5C7D36E43 (1)

Weight, g/mol:

376.168145

ΔHf, kcal/mol:

-85.49

Dipole, Da:

2.55

IP(EA), eV:

 -8.7(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-1'-(1-methylpyrazol-4-yl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)C(=O)CN4C=C(C5=CC=CC=C54)C(=O)C6CC6)N=N3

DOS

IR

Vibrations