Geometry & MOs

Info

ID:	283651
PubChem CID:	103995660
Reduced:	N3O4C13H23 (1)
Stoich.:	A3B4C13D23 (1)
Weight, g/mol:	318.08497
ΔH_f, kcal/mol:	-187.56
Dipole, Da:	8.53
IP(EA), eV:	-10.06(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-difluorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCNC(=O)NC(C)(C1CC1)C(=O)O

DOS

IR

Vibrations