Geometry & MOs

Info

ID:	425846
PubChem CID:	135128280
Reduced:	O2S2N6C23H24 (1)
Stoich.:	A2B2C6D23E24 (1)
Weight, g/mol:	445.160617
ΔH_f, kcal/mol:	15.75
Dipole, Da:	7.12
IP(EA), eV:	-8.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-5-[[4-[(4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC(CC1)NC2=NC(=NC3=C2SC=C3)NC4=CC(=NS4)C(=O)NC5=CC=CC=C5)O

DOS

IR

Vibrations