Geometry & MOs

Info

ID:	63018
PubChem CID:	26738018
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	401.123169
ΔH_f, kcal/mol:	-151.63
Dipole, Da:	2.31
IP(EA), eV:	-9.99(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CN2C=CC(=O)NC2=O

DOS

IR

Vibrations