Geometry & MOs

Info

ID:	226616
PubChem CID:	87544418
Reduced:	N4F7O8C34H45 (1)
Stoich.:	A4B7C8D34E45 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-688.97
Dipole, Da:	3.88
IP(EA), eV:	-8.96(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCC[C@@H](C)N(CCNCCC1=C2C(=C(C=C1)O)NC(=O)CO2)C(=O)CCNCCC3=CC(=C(C=C3)F)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations