Geometry & MOs

Info

ID:	157856
PubChem CID:	56437631
Reduced:	FSN2O5C23H29 (1)
Stoich.:	ABC2D5E23F29 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-247.94
Dipole, Da:	2.0
IP(EA), eV:	-9.03(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[methyl-(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N(C)CCCC(=O)OC(C)(C)C)F

DOS

IR

Vibrations