Geometry & MOs

Info

ID:	186047
PubChem CID:	77383943
Reduced:	N2O3C10H13 (2)
Stoich.:	A2B3C10D13 (2)
Weight, g/mol:	591.295788
ΔH_f, kcal/mol:	-221.48
Dipole, Da:	3.47
IP(EA), eV:	-8.29(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-1-[2-[6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN1C(C(C(=O)NC1=O)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)OCCOCCO)O

DOS

IR

Vibrations