Geometry & MOs

Info

ID:

180451

PubChem CID:

76634758

Reduced:

FON2C20H29 (1)

Stoich.:

ABC2D20E29 (1)

Weight, g/mol:

936.230607

ΔHf, kcal/mol:

-42.43

Dipole, Da:

3.98

IP(EA), eV:

 -8.67(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 6-(1-hydroxyethyl)-4-methyl-3-[5-[[3-[methyl-[(4-nitrophenyl)methoxycarbonyl]amino]-3-oxopropyl]sulfanylmethyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC2=CC=C(C=C2)F)CCC1)NOCC(C)CN(C)C

DOS

IR

Vibrations