Geometry & MOs

Info

ID:	217416
PubChem CID:	85087783
Reduced:	NO4H19C22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	361.163771
ΔH_f, kcal/mol:	-26.12
Dipole, Da:	1.6
IP(EA), eV:	-8.63(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[2-[(1,4-diamino-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]-3-methylbut-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=NOC)COC2=CC3=C(C=C2)OC4=CC=CC=C43

DOS

IR

Vibrations