Geometry & MOs

Info

ID:	323712
PubChem CID:	126675791
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	494.162391
ΔH_f, kcal/mol:	-59.32
Dipole, Da:	6.68
IP(EA), eV:	-9.13(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-6-(4-methylsulfonylphenyl)-1,3-benzoxazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C2=CC=C(C=C2)C3=CC(=C(N=C3)N)C(=O)N

DOS

IR

Vibrations