Geometry & MOs

Info

ID:	234591
PubChem CID:	92303127
Reduced:	N2O4C7H10 (1)
Stoich.:	A2B4C7D10 (1)
Weight, g/mol:	397.134779
ΔH_f, kcal/mol:	-172.4
Dipole, Da:	3.37
IP(EA), eV:	-10.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-dimethyl-2-[[(E)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-enoyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1(C(=O)NC(=O)N1)C

DOS

IR

Vibrations