Geometry & MOs

Info

ID:	33871
PubChem CID:	7888528
Reduced:	N3O5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	410.123504
ΔH_f, kcal/mol:	-172.65
Dipole, Da:	6.37
IP(EA), eV:	-8.79(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(=O)CN2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations