Geometry & MOs

Info

ID:

80469

PubChem CID:

49834596

Reduced:

FN2O3H19C23 (1)

Stoich.:

AB2C3D19E23 (1)

Weight, g/mol:

729.286606

ΔHf, kcal/mol:

-74.99

Dipole, Da:

6.11

IP(EA), eV:

 -8.68(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 13-[[3-(4-acetyloxyphenyl)-2-aminopropanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(C4=C(C=C(C=C4)F)C(=O)N3)OCCN

DOS

IR

Vibrations