Geometry & MOs

Info

ID:

190437

PubChem CID:

78005472

Reduced:

N5O6C37H49 (1)

Stoich.:

A5B6C37D49 (1)

Weight, g/mol:

834.377469

ΔHf, kcal/mol:

-203.73

Dipole, Da:

5.23

IP(EA), eV:

 -8.96(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dibutyl-2-[2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-(naphthalen-2-ylsulfonylcarbamoyl)phenyl]-1-(2-morpholin-4-ylethyl)imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN(CCCC)C(=O)C1=CN(C(=N1)C2=C(C=C(C=C2)C(=O)OC)C(=O)N3CC4=CC=CC=C4CC3CO)CCN5CCOCC5

DOS

IR

Vibrations