Geometry & MOs

Info

ID:	176847
PubChem CID:	76104788
Reduced:	S4O5N9H13C16 (1)
Stoich.:	A4B5C9D13E16 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	45.77
Dipole, Da:	6.96
IP(EA), eV:	-9.31(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-methoxy-4-oxobut-2-enyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOCC#N)C3=NSC(=N3)N)C(=O)O)CSC4=NN=CS4

DOS

IR

Vibrations