Geometry & MOs

Info

ID:

312446

PubChem CID:

126605158

Reduced:

N2H30C43 (1)

Stoich.:

A2B30C43 (1)

Weight, g/mol:

492.255898

ΔHf, kcal/mol:

192.49

Dipole, Da:

2.7

IP(EA), eV:

 -7.76(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-benzyl-3-(cyclohexylmethylamino)-3,4-dihydro-2H-chromen-6-yl]methyl]-1-methylimidazole-4-sulfinamide

Drug info:

PubChemData

Smile

C1C2=C(C=CN1)N(C3=C2C=C(C=C3)C4=CC=C(C=C4)C5=C6C=CC=CC6=C(C7=CC=CC=C75)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations