Geometry & MOs

Info

ID:	190527
PubChem CID:	78016367
Reduced:	SO3N4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	460.180543
ΔH_f, kcal/mol:	-30.49
Dipole, Da:	7.32
IP(EA), eV:	-9.75(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[5-[(3-amino-3-oxoprop-1-enyl)amino]-3,4-dihydroxyoxolane-2-carbonyl]amino]butanoylamino]-4-ethoxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC1(C2C(C(O1)C)C(=O)N(C2=O)C3=CC=C(C4=NSN=C34)C#N)C

DOS

IR

Vibrations