Geometry & MOs

Info

ID:

185755

PubChem CID:

77344135

Reduced:

SN2O7C26H34 (1)

Stoich.:

AB2C7D26E34 (1)

Weight, g/mol:

607.233879

ΔHf, kcal/mol:

-248.56

Dipole, Da:

1.72

IP(EA), eV:

 -9.28(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

1-carbamimidoyl-3-[[[4-[(1-carboxy-2-phenylethyl)amino]-3-[naphthalen-2-yl(sulfinato)amino]-4-oxobutanoyl]amino]methyl]piperidine

Drug info:

PubChemData

Smile

CC=COC(=O)C1(C=CC=CC1CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)N)S(=O)(=O)C(C)(C)C

DOS

IR

Vibrations