Geometry & MOs

Info

ID:	416711
PubChem CID:	135090159
Reduced:	SO5N9C40H51 (1)
Stoich.:	AB5C9D40E51 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-118.44
Dipole, Da:	5.92
IP(EA), eV:	-9.13(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)CC4=C(C=C(C=C4N5C=CC=N5)C)C)C)C)C(C)C

DOS

IR

Vibrations