Geometry & MOs

Info

ID:	33196
PubChem CID:	7885361
Reduced:	SO3N4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	412.163436
ΔH_f, kcal/mol:	-94.83
Dipole, Da:	1.79
IP(EA), eV:	-8.97(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[[2-[2-[(3,4-dimethylbenzoyl)amino]acetyl]oxyacetyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NC(=O)NCC=C

DOS

IR

Vibrations