Geometry & MOs

Info

ID:	447320
PubChem CID:	135282002
Reduced:	BrNO3C18H28 (1)
Stoich.:	ABC3D18E28 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	-150.39
Dipole, Da:	9.15
IP(EA), eV:	-8.48(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-5-[2-chloro-4-(6-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OC[C@@H](C)C[C@H](C)N(C(=O)O)C(C)(C)C

DOS

IR

Vibrations