Geometry & MOs

Info

ID:	33580
PubChem CID:	7887073
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	375.118753
ΔH_f, kcal/mol:	-128.99
Dipole, Da:	5.17
IP(EA), eV:	-8.71(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6

DOS

IR

Vibrations