Geometry & MOs

Info

ID:	21553
PubChem CID:	588899
Reduced:	NOC3H3 (5)
Stoich.:	ABC3D3 (5)
Weight, g/mol:	345.107319
ΔH_f, kcal/mol:	-67.19
Dipole, Da:	2.53
IP(EA), eV:	-9.32(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[N-acetyl-C-[N-acetyloxy-C-(1H-benzimidazol-2-yl)carbonimidoyl]carbonimidoyl]amino] acetate

Drug info:

PubChemData

Smile

CC(=O)N=C(C(=NOC(=O)C)C1=NC2=CC=CC=C2N1)NOC(=O)C

DOS

IR

Vibrations