Geometry & MOs

Info

ID:	35588
PubChem CID:	7980070
Reduced:	N2S2O3C14H20 (1)
Stoich.:	A2B2C3D14E20 (1)
Weight, g/mol:	401.150619
ΔH_f, kcal/mol:	-138.49
Dipole, Da:	4.47
IP(EA), eV:	-8.31(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-oxopropyl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N[C@@H]3CCS(=O)(=O)C3)N

DOS

IR

Vibrations