Geometry & MOs

Info

ID:	447368
PubChem CID:	135282335
Reduced:	OF2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-129.59
Dipole, Da:	2.34
IP(EA), eV:	-9.5(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(4S)-5-[2-cyano-4-(2-ethenylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1C)C2=CC(=C(N=C2)OC[C@@H](C)CC(C)(C)N)C(F)F

DOS

IR

Vibrations