Geometry & MOs

Info

ID:	154947
PubChem CID:	56314503
Reduced:	F2N3O3H27C28 (1)
Stoich.:	A2B3C3D27E28 (1)
Weight, g/mol:	416.242356
ΔH_f, kcal/mol:	-129.23
Dipole, Da:	7.31
IP(EA), eV:	-9.26(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]propyl]-N-(pyridin-3-ylmethyl)carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F)F

DOS

IR

Vibrations