Geometry & MOs

Info

ID:

218579

PubChem CID:

85089641

Reduced:

S2N5O5C20H27 (1)

Stoich.:

A2B5C5D20E27 (1)

Weight, g/mol:

481.224657

ΔHf, kcal/mol:

-126.04

Dipole, Da:

6.78

IP(EA), eV:

 -8.56(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-3-[5-[4-(2-hydroxyethyl)-4-methylpiperazin-4-ium-1-carbonyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxobicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=CC1=CSC(=N1)N)C(=NOC(C)(C)C)C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O

DOS

IR

Vibrations