Geometry & MOs

Info

ID:	61946
PubChem CID:	26716109
Reduced:	SN3O5C25H25 (1)
Stoich.:	AB3C5D25E25 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-106.22
Dipole, Da:	4.79
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-yl)-N'-[2-(4-methoxyphenyl)acetyl]-3-nitrobenzohydrazide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations