Geometry & MOs

Info

ID:	149594
PubChem CID:	53789268
Reduced:	N2O7C24H36 (1)
Stoich.:	A2B7C24D36 (1)
Weight, g/mol:	233.119798
ΔH_f, kcal/mol:	-320.0
Dipole, Da:	1.59
IP(EA), eV:	-9.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-(carbamothioylamino)-2-(propylamino)pentanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N1CC(C(C1)OCC(=O)OC(C)(C)C)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations