Geometry & MOs

Info

ID:

436030

PubChem CID:

135193428

Reduced:

SN2O4C31H40 (2)

Stoich.:

AB2C4D31E40 (2)

Weight, g/mol:

446.206639

ΔHf, kcal/mol:

-250.51

Dipole, Da:

7.95

IP(EA), eV:

 -8.42(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCCNCC1=CC=C(C=C1)CNCC2=CC=C(C=C2)OC\3=C(CCC/C3=C\C=C/4\C(CC5=CC=CC=C5C4(C)C)CCCCS(=O)(=O)O)/C=C/C6C(C7=CC=CC=C7N6CCCCS(=O)(=O)O)(C)C

DOS

IR

Vibrations