Geometry & MOs

Info

ID:

214946

PubChem CID:

85083901

Reduced:

SN6O9C29H40 (1)

Stoich.:

AB6C9D29E40 (1)

Weight, g/mol:

648.273004

ΔHf, kcal/mol:

-369.66

Dipole, Da:

8.09

IP(EA), eV:

 -9.26(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[1-[2-[[5-[N'-(2-hydroxyethylcarbamoyl)carbamimidoyl]thiophen-2-yl]methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(CS(=O)(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations