Geometry & MOs

Info

ID:	32095
PubChem CID:	4266048
Reduced:	O2S2N3C23H31 (1)
Stoich.:	A2B2C3D23E31 (1)
Weight, g/mol:	381.070465
ΔH_f, kcal/mol:	-77.42
Dipole, Da:	3.68
IP(EA), eV:	-8.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-dimethyl-2-[[2-(5-methylthiophene-2-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)CSC2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2CC=C

DOS

IR

Vibrations