Geometry & MOs

Info

ID:	226107
PubChem CID:	87325741
Reduced:	SO2N9H23C24 (1)
Stoich.:	AB2C9D23E24 (1)
Weight, g/mol:	520.154719
ΔH_f, kcal/mol:	95.21
Dipole, Da:	12.69
IP(EA), eV:	-8.73(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[2-[2-[2-chloro-6-[methyl(methylsulfonyl)amino]pyridin-4-yl]-1,3-oxazol-5-yl]-1-phenylpropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(N2C(=C(C=N2)/C=C/3\C(=O)NC(=O)S3)N=C1N4CCN(CC4)C5=C(C=CC=N5)C#N)NC6CC6

DOS

IR

Vibrations