Geometry & MOs

Info

ID:	60901
PubChem CID:	26703011
Reduced:	ClSN3O5H18C22 (1)
Stoich.:	ABC3D5E18F22 (1)
Weight, g/mol:	493.167142
ΔH_f, kcal/mol:	-130.18
Dipole, Da:	3.89
IP(EA), eV:	-8.97(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-tert-butylbenzoyl)amino]phenyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)NCC(=O)NCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations