Geometry & MOs

Info

ID:	159826
PubChem CID:	57288793
Reduced:	O11H30C32 (1)
Stoich.:	A11B30C32 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-325.86
Dipole, Da:	5.19
IP(EA), eV:	-9.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-carbamimidoylanilino)-2-(2-cyclopentyloxy-5-ethyl-3-propylphenyl)acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OCC(=O)O)OC)(C3=CC(=O)OC3(C4=CC=C(C=C4)OC)O)C5=COCO5

DOS

IR

Vibrations