Geometry & MOs

Info

ID:	243357
PubChem CID:	99222710
Reduced:	O2S2N4C23H28 (1)
Stoich.:	A2B2C4D23E28 (1)
Weight, g/mol:	456.165369
ΔH_f, kcal/mol:	-44.17
Dipole, Da:	5.42
IP(EA), eV:	-8.7(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@@H](C)N(CC(=O)N)C(=O)CSC2=NC=NC3=C2C(=C(S3)C)C

DOS

IR

Vibrations