Geometry & MOs

Info

ID:	234593
PubChem CID:	92303132
Reduced:	O3C24H34 (1)
Stoich.:	A3B24C34 (1)
Weight, g/mol:	423.150429
ΔH_f, kcal/mol:	-155.54
Dipole, Da:	6.05
IP(EA), eV:	-9.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(E)-3-[(2R)-2-methyl-2H-chromen-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCCCC[C@@H]1CC[C@H](C1)C(=O)C2CCC(CC2)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations