Geometry & MOs

Info

ID:	33202
PubChem CID:	7885377
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	412.163436
ΔH_f, kcal/mol:	-95.44
Dipole, Da:	8.41
IP(EA), eV:	-8.37(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)C4=C(N(C(=C4)C)CCOC)C

DOS

IR

Vibrations