Geometry & MOs

Info

ID:

414872

PubChem CID:

135087844

Reduced:

OSN7C14H15 (1)

Stoich.:

ABC7D14E15 (1)

Weight, g/mol:

768.308738

ΔHf, kcal/mol:

87.59

Dipole, Da:

7.15

IP(EA), eV:

 -9.65(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-4-methyl-15-(5-methyl-1,3-oxazole-4-carbonyl)-10-(2-methylsulfanylethyl)-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

CC(CN1C=NC=N1)C(=O)NCC2=CSC(=N2)C3=NC=CC=N3

DOS

IR

Vibrations