Geometry & MOs

Info

ID:

215592

PubChem CID:

85084954

Reduced:

SN12O16C45H72 (1)

Stoich.:

AB12C16D45E72 (1)

Weight, g/mol:

1069.208967

ΔHf, kcal/mol:

-760.0

Dipole, Da:

8.58

IP(EA), eV:

 -9.2(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 7-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethylsulfanyl]-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(CC2=CN=CN2)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(CCCCN)N

DOS

IR

Vibrations