Geometry & MOs

Info

ID:	33614
PubChem CID:	7887211
Reduced:	O2S2N3C19H19 (1)
Stoich.:	A2B2C3D19E19 (1)
Weight, g/mol:	408.038454
ΔH_f, kcal/mol:	-20.92
Dipole, Da:	6.6
IP(EA), eV:	-8.61(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2C(=C(S3)C)C

DOS

IR

Vibrations