Geometry & MOs

Info

ID:	198
PubChem CID:	2279
Reduced:	S2O3N4C22H38 (1)
Stoich.:	A2B3C4D22E38 (1)
Weight, g/mol:	470.238533
ΔH_f, kcal/mol:	-134.14
Dipole, Da:	5.56
IP(EA), eV:	-8.89(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-[(2-amino-3-sulfanylpropyl)amino]-3-methylbutyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)C(CNC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)O)NCC(CS)N

DOS

IR

Vibrations