Geometry & MOs

Info

ID:	194813
PubChem CID:	78593159
Reduced:	BrO2N3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	414.214129
ΔH_f, kcal/mol:	-4.57
Dipole, Da:	3.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.561632
Charge, e:	-1

Chem-info

IUPAC name:

2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)Br)C3(C1=O)C4=C(CC[NH2+]3)C5=C(N4)C=CC(=C5)OC

DOS

IR

Vibrations