Geometry & MOs

Info

ID:

164328

PubChem CID:

74382902

Reduced:

SN11O12C38H57 (1)

Stoich.:

AB11C12D38E57 (1)

Weight, g/mol:

639.206437

ΔHf, kcal/mol:

-510.78

Dipole, Da:

13.54

IP(EA), eV:

 -8.64(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2-carbamimidoyl-1,3-thiazol-5-yl)methyl]-4-[(4-chlorophenyl)methoxy]-1-[2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CCCN3C(=O)C(CO)NC(=O)C(CO)N

DOS

IR

Vibrations