Geometry & MOs

Info

ID:	419352
PubChem CID:	135108020
Reduced:	N3O4C18H31 (1)
Stoich.:	A3B4C18D31 (1)
Weight, g/mol:	452.149382
ΔH_f, kcal/mol:	-186.28
Dipole, Da:	2.61
IP(EA), eV:	-8.66(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-N-(2-amino-2-oxoethyl)-2-(1,3-thiazol-4-ylmethyl)-7-[[3-(trifluoromethyl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1CC2(CCN(CC2)C3CCOCC3)OCCC1=O

DOS

IR

Vibrations