Geometry & MOs

Info

ID:	33646
PubChem CID:	7887331
Reduced:	OSN2C7H9 (2)
Stoich.:	ABC2D7E9 (2)
Weight, g/mol:	404.043539
ΔH_f, kcal/mol:	-65.12
Dipole, Da:	5.11
IP(EA), eV:	-9.0(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-amino-4-cyano-3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@H](C(C)C)C(=O)NC(=O)N)C

DOS

IR

Vibrations