Geometry & MOs

Info

ID:	33704
PubChem CID:	7887554
Reduced:	FNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	371.112605
ΔH_f, kcal/mol:	-183.19
Dipole, Da:	7.81
IP(EA), eV:	-8.35(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)OC)F)C

DOS

IR

Vibrations