Geometry & MOs

Info

ID:

168594

PubChem CID:

74992138

Reduced:

O9N13C53H69 (1)

Stoich.:

A9B13C53D69 (1)

Weight, g/mol:

765.221697

ΔHf, kcal/mol:

-349.64

Dipole, Da:

12.67

IP(EA), eV:

 -8.8(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[4-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]-5-oxo-5-phenylmethoxypentanoyl]sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C2=CC=C(C=C2)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)N)NC(=O)C(CC5=CC=CC=C5)N

DOS

IR

Vibrations