Geometry & MOs

Info

ID:

418855

PubChem CID:

135106966

Reduced:

NOC5H7 (3)

Stoich.:

ABC5D7 (3)

Weight, g/mol:

779.346504

ΔHf, kcal/mol:

-96.95

Dipole, Da:

10.3

IP(EA), eV:

 -8.88(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-15-[2-(3-methylphenyl)benzoyl]-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

CO[C@@H]1CCC[C@@]12CCCN(C2)C3=NC(=CN=C3)C(=O)O

DOS

IR

Vibrations