Geometry & MOs

Info

ID:	195126
PubChem CID:	78639324
Reduced:	BrNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	411.125277
ΔH_f, kcal/mol:	-167.43
Dipole, Da:	3.31
IP(EA), eV:	-9.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(dimethylamino)-1-oxopropan-2-yl] 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate

Drug info:

PubChemData

Smile

CCNC(=O)C(C)OC(=O)CCCOC1=CC(=CC=C1)Br

DOS

IR

Vibrations