Geometry & MOs

Info

ID:

414528

PubChem CID:

135087487

Reduced:

S2O7N8C38H50 (1)

Stoich.:

A2B7C8D38E50 (1)

Weight, g/mol:

351.20591

ΔHf, kcal/mol:

-220.67

Dipole, Da:

10.68

IP(EA), eV:

 -8.2(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[(4-methylphenyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N1)C)C(C)C)C(=O)C3=CN(C(=O)C=C3)C)CC4=CC=CC=C4)CCSC

DOS

IR

Vibrations