Geometry & MOs

Info

ID:	302456
PubChem CID:	124361809
Reduced:	FO2N4H13C16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	307.153206
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	4.87
IP(EA), eV:	-9.14(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(4-acetamidophenyl)carbamoylamino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)F)N2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations