Geometry & MOs

Info

ID:	140981
PubChem CID:	52794970
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-121.45
Dipole, Da:	4.15
IP(EA), eV:	-8.39(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-dimethyl-2-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@@H](C)C2=C(N(N=C2C)C)C

DOS

IR

Vibrations