Geometry & MOs

Info

ID:

416876

PubChem CID:

135090630

Reduced:

ClFN2C18H26 (1)

Stoich.:

ABC2D18E26 (1)

Weight, g/mol:

768.319972

ΔHf, kcal/mol:

-47.91

Dipole, Da:

3.51

IP(EA), eV:

 -8.71(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-4-methyl-10-(2-methylsulfanylethyl)-15-(5-methyl-2H-triazole-4-carbonyl)-19-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

CN(C)C1C[C@@H]2CC(C[C@@H]2C1)N(C)CC3=C(C(=CC=C3)Cl)F

DOS

IR

Vibrations