Geometry & MOs

Info

ID:	234594
PubChem CID:	92303133
Reduced:	NSO4C24H25 (1)
Stoich.:	ABC4D24E25 (1)
Weight, g/mol:	423.150429
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	2.32
IP(EA), eV:	-8.4(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C=C/C3=CC4=CC=CC=C4O[C@@H]3C

DOS

IR

Vibrations