Geometry & MOs

Info

ID:

421078

PubChem CID:

135115357

Reduced:

O2N5C22H27 (1)

Stoich.:

A2B5C22D27 (1)

Weight, g/mol:

741.342087

ΔHf, kcal/mol:

10.89

Dipole, Da:

6.22

IP(EA), eV:

 -8.91(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[(4-imidazol-1-ylphenyl)methyl]-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3N4C=CC=N4)C

DOS

IR

Vibrations