Geometry & MOs

Info

ID:	17487
PubChem CID:	500974
Reduced:	PN5O7C21H22 (1)
Stoich.:	AB5C7D21E22 (1)
Weight, g/mol:	487.125685
ΔH_f, kcal/mol:	-264.83
Dipole, Da:	4.47
IP(EA), eV:	-8.74(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(4-methoxy-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C1CC3=NC4=C(N3)C=CC=C4OC

DOS

IR

Vibrations