Geometry & MOs

Info

ID:	35528
PubChem CID:	7979990
Reduced:	SN3O4C20H29 (1)
Stoich.:	AB3C4D20E29 (1)
Weight, g/mol:	394.150427
ΔH_f, kcal/mol:	-147.88
Dipole, Da:	8.04
IP(EA), eV:	-9.75(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations