Geometry & MOs

Info

ID:	162373
PubChem CID:	57394474
Reduced:	NO5C25H25 (1)
Stoich.:	AB5C25D25 (1)
Weight, g/mol:	425.17329
ΔH_f, kcal/mol:	-108.54
Dipole, Da:	5.07
IP(EA), eV:	-8.15(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 1-[2-[4-(diaminomethylideneamino)sulfonylanilino]-2-oxoethyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)N)C3=CC(=C(C=C3)OC)OC)OC

DOS

IR

Vibrations