Geometry & MOs

Info

ID:

190637

PubChem CID:

78035988

Reduced:

ClSN3O4C23H26 (1)

Stoich.:

ABC3D4E23F26 (1)

Weight, g/mol:

794.354031

ΔHf, kcal/mol:

-69.74

Dipole, Da:

5.96

IP(EA), eV:

 -8.56(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-[[2-[2-[1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-5-yl]-(2-methylphenyl)carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamic acid

Drug info:

PubChemData

Smile

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)N3CCCCC3)NC4=NOC5=C4C=C(C=C5)Cl)O)C

DOS

IR

Vibrations