Geometry & MOs

Info

ID:	223561
PubChem CID:	85335240
Reduced:	ClSO2N6C19H19 (1)
Stoich.:	ABC2D6E19F19 (1)
Weight, g/mol:	431.303559
ΔH_f, kcal/mol:	23.71
Dipole, Da:	7.51
IP(EA), eV:	-9.24(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-oxopentadecanoylamino)-5-phenylpentanoic acid

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=CC(C2=NC(=O)NC2=C1)SC3=NC4=C(N3)C=C(C=C4)Cl

DOS

IR

Vibrations