Geometry & MOs

Info

ID:	195806
PubChem CID:	78732807
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	396.11775
ΔH_f, kcal/mol:	-48.58
Dipole, Da:	5.08
IP(EA), eV:	-8.36(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(butan-2-ylcarbamoylamino)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Cl)NCC(=O)NC2=CC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations