Geometry & MOs

Info

ID:

185935

PubChem CID:

77371420

Reduced:

ClSN5O7C29H38 (1)

Stoich.:

ABC5D7E29F38 (1)

Weight, g/mol:

607.264213

ΔHf, kcal/mol:

-290.83

Dipole, Da:

3.42

IP(EA), eV:

 -8.54(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[6-amino-5-methyl-7-[1-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]-4-oxo-3,1-benzoxazin-2-yl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)C)NC(=O)C(CCCCN)N(C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations