Geometry & MOs

Info

ID:	193362
PubChem CID:	78381500
Reduced:	N3O10C20H23 (1)
Stoich.:	A3B10C20D23 (1)
Weight, g/mol:	367.221954
ΔH_f, kcal/mol:	-355.47
Dipole, Da:	4.56
IP(EA), eV:	-9.58(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-acetamido-2-(azepan-1-yl)-2-oxoethyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1(C(C(C(O1)N2C=CC(=NC2=O)N)OC(=O)C)(C#C)OC(=O)C)COC(=O)C

DOS

IR

Vibrations