Geometry & MOs

Info

ID:	54408
PubChem CID:	17153668
Reduced:	SN4O6C27H34 (1)
Stoich.:	AB4C6D27E34 (1)
Weight, g/mol:	459.194026
ΔH_f, kcal/mol:	-224.48
Dipole, Da:	10.69
IP(EA), eV:	-9.47(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-N-[4-[[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4CCCO4

DOS

IR

Vibrations