Geometry & MOs

Info

ID:

47080

PubChem CID:

10529459

Reduced:

N2S2O4H22C27 (1)

Stoich.:

A2B2C4D22E27 (1)

Weight, g/mol:

502.203862

ΔHf, kcal/mol:

-55.14

Dipole, Da:

6.41

IP(EA), eV:

 -9.19(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N'-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-yl]carbamimidothioate

Drug info:

PubChemData

Smile

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SC4=CC=CC(=C4)C5=CC=CC=C5

DOS

IR

Vibrations