Geometry & MOs

Info

ID:

424769

PubChem CID:

135123860

Reduced:

SO4N8C39H48 (1)

Stoich.:

AB4C8D39E48 (1)

Weight, g/mol:

603.368559

ΔHf, kcal/mol:

-25.33

Dipole, Da:

6.81

IP(EA), eV:

 -8.37(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[[2-(cycloheptylmethyl)imidazol-1-yl]methyl]-4-methylphenyl]-3-(1,4-dimethylbenzotriazol-5-yl)-2,2-dimethyl-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CCC1CN(S(C2=CC=CC=C2O1)(O)O)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)NC(=O)C6=CN=C(N=C6)N7CCC7)C

DOS

IR

Vibrations