Geometry & MOs

Info

ID:

421894

PubChem CID:

135116786

Reduced:

NO5C16H19 (1)

Stoich.:

AB5C16D19 (1)

Weight, g/mol:

733.325768

ΔHf, kcal/mol:

-159.09

Dipole, Da:

7.06

IP(EA), eV:

 -9.57(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-(4-methoxy-3-methylbenzoyl)-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

C1[C@]2([C@@]1(CN(C2)CCOCC3=CC=CC=C3)C(=O)O)C(=O)O

DOS

IR

Vibrations