Geometry & MOs

Info

ID:	195119
PubChem CID:	78637058
Reduced:	SO2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	412.138284
ΔH_f, kcal/mol:	-28.13
Dipole, Da:	6.57
IP(EA), eV:	-8.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-(2-methoxyethylamino)-3-nitrobenzoate

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

DOS

IR

Vibrations