Geometry & MOs

Info

ID:	233916
PubChem CID:	92192435
Reduced:	SN2O4C25H32 (1)
Stoich.:	AB2C4D25E32 (1)
Weight, g/mol:	526.028761
ΔH_f, kcal/mol:	-171.98
Dipole, Da:	7.82
IP(EA), eV:	-9.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-phenyl-2-[[(1S)-2,2,2-trichloro-1-[(4-methoxybenzoyl)amino]ethyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C(C=CC(=C1)C(=O)N[C@H]2CCCC[C@@H]2C)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations