Geometry & MOs

Info

ID:	37682
PubChem CID:	8023123
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	382.182733
ΔH_f, kcal/mol:	-138.57
Dipole, Da:	7.55
IP(EA), eV:	-8.6(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OCC(=O)NC3=CC=CC=C3C(C)C

DOS

IR

Vibrations