Geometry & MOs

Info

ID:	138240
PubChem CID:	52332858
Reduced:	O3N5C20H30 (1)
Stoich.:	A3B5C20D30 (1)
Weight, g/mol:	386.182829
ΔH_f, kcal/mol:	-84.46
Dipole, Da:	4.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.808158
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-[[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoacetyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)NC(=O)C(=O)NCC3(CCCCC3)[NH+](C)C)N(C1=O)C

DOS

IR

Vibrations