Geometry & MOs

Info

ID:	420933
PubChem CID:	135115057
Reduced:	O4N5C19H21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-6.65
Dipole, Da:	4.63
IP(EA), eV:	-8.5(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NOC=N1)C(=O)C2=C(ON=C2N3CCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations