Geometry & MOs

Info

ID:

190379

PubChem CID:

77993718

Reduced:

SN3O9C36H59 (1)

Stoich.:

AB3C9D36E59 (1)

Weight, g/mol:

714.225

ΔHf, kcal/mol:

-404.09

Dipole, Da:

6.38

IP(EA), eV:

 -8.14(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

propan-2-yl 4-[[1-[[1,3-bis[(4-chlorophenyl)methyl]imidazol-1-ium-2-yl]methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate

Drug info:

PubChemData

Smile

CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C1=CC=C(C=C1)S(=O)(=O)O

DOS

IR

Vibrations