Geometry & MOs

Info

ID:	252581
PubChem CID:	103112462
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	305.140927
ΔH_f, kcal/mol:	-66.62
Dipole, Da:	4.07
IP(EA), eV:	-10.13(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CCN1C(=C(N=N1)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations