Geometry & MOs

Info

ID:	159677
PubChem CID:	57288616
Reduced:	ClS2N7O12C23H24 (1)
Stoich.:	AB2C7D12E23F24 (1)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-295.93
Dipole, Da:	7.19
IP(EA), eV:	-9.59(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-[5-(dimethylamino)pentyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])ON=C(C2=CSC(=N2)NC(=O)CCl)C(=O)N[C@@H]3[C@@H](N(C3=O)S(=O)(=O)O)C(=O)NC

DOS

IR

Vibrations