Geometry & MOs

Info

ID:	314590
PubChem CID:	126622360
Reduced:	IO4N5C22H26 (1)
Stoich.:	AB4C5D22E26 (1)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	-72.7
Dipole, Da:	3.36
IP(EA), eV:	-9.02(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(2,5-dioxopyrrol-1-yl)-5-(4-phenylphenyl)pentanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=C(C=C3C(=C2)C(=NN3CC(=O)OC(C)(C)C)I)OCC(=O)N(C)C

DOS

IR

Vibrations