Geometry & MOs

Info

ID:	187398
PubChem CID:	77568927
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	744.206772
ΔH_f, kcal/mol:	-176.59
Dipole, Da:	10.36
IP(EA), eV:	-9.81(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3,5-dicyano-6-pyrrolidin-1-ylpyridin-4-yl]phenoxy]ethyl 2-(2,4-diaminobutanoylamino)propanoate

Drug info:

PubChemData

Smile

C1CC(N2CC1NC2=O)C(=O)NC3CCN(CC3)C(=O)O

DOS

IR

Vibrations