Geometry & MOs

Info

ID:	17551
PubChem CID:	504145
Reduced:	N3O3S3C20H23 (1)
Stoich.:	A3B3C3D20E23 (1)
Weight, g/mol:	449.090155
ΔH_f, kcal/mol:	-66.97
Dipole, Da:	6.16
IP(EA), eV:	-8.89(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[[2-phenyl-2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)SC(=S)N3CCCC3

DOS

IR

Vibrations