Geometry & MOs

Info

ID:	33645
PubChem CID:	7887329
Reduced:	ClO2N3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	338.087118
ΔH_f, kcal/mol:	-82.51
Dipole, Da:	9.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758901
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-carbamoyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-methylbutanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)[C@@H](C)[NH+](C)CC(=O)NC2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations