Geometry & MOs

Info

ID:	218223
PubChem CID:	85089051
Reduced:	SN4O7C18H24 (1)
Stoich.:	AB4C7D18E24 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-227.09
Dipole, Da:	2.71
IP(EA), eV:	-9.05(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(4-amino-1-anilino-1,4-dioxobutan-2-yl)amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N

DOS

IR

Vibrations