Geometry & MOs

Info

ID:	313550
PubChem CID:	126615804
Reduced:	N11O12C56H65 (1)
Stoich.:	A11B12C56D65 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-381.71
Dipole, Da:	7.79
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-anilino-1,4-dioxo-4-piperazin-1-ylbutan-2-yl)furan-2-carboxamide

Drug info:

Smile

C1CN(CC(N1)C2=CC(=CC=C2)NC(=O)[C@H](CC(=O)N3CCN(CC3)C4=CC=C(C=C4)NC(=O)[C@H](CCO)NC(=O)OCC5=CC=CC=C5)NC(=O)C6=CC=CO6)C(=O)C[C@@H](C(=O)NC7=CC=CC=C7)NC(=O)N8CCOCC8

DOS

IR

Vibrations