Geometry & MOs

Info

ID:	234541
PubChem CID:	92298645
Reduced:	OI2N2H20C25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	80.12
Dipole, Da:	4.46
IP(EA), eV:	-8.49(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NC[C@H](CN3C4=C(C=C(C=C4)I)C5=C3C=CC(=C5)I)O

DOS

IR

Vibrations