Geometry & MOs

Info

ID:	185658
PubChem CID:	77327809
Reduced:	ON3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	577.272276
ΔH_f, kcal/mol:	34.66
Dipole, Da:	9.5
IP(EA), eV:	-8.77(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methylsulfanyl-2-[[2-[naphthalen-1-ylmethyl-[2-oxo-3-(pyridin-4-ylamino)-1-pyrrolidin-2-ylpropyl]amino]acetyl]amino]butanoate

Drug info:

PubChemData

Smile

C1CCN2C(=CC3C2=CN=NC3=O)C1

DOS

IR

Vibrations