Geometry & MOs

Info

ID:	159237
PubChem CID:	57265399
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	419.12634
ΔH_f, kcal/mol:	-105.81
Dipole, Da:	3.12
IP(EA), eV:	-9.66(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-4-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(CCC(C1=CC=CC=C1)O)O

DOS

IR

Vibrations