Geometry & MOs

Info

ID:	181224
PubChem CID:	76718401
Reduced:	NO2C14H27 (1)
Stoich.:	AB2C14D27 (1)
Weight, g/mol:	641.368953
ΔH_f, kcal/mol:	-134.82
Dipole, Da:	3.28
IP(EA), eV:	-9.02(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[5-[6-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]pyrimidin-5-yl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC1CCCN1C(=O)C(C)C(C)OC

DOS

IR

Vibrations