Geometry & MOs

Info

ID:	182248
PubChem CID:	76864044
Reduced:	SO2N3C14H23 (1)
Stoich.:	AB2C3D14E23 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	-57.53
Dipole, Da:	2.89
IP(EA), eV:	-8.88(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylamino)-N-methyl-N-[(4-oxo-4aH-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1C(CNN1)S(=O)(=O)NC(C)CC2=CC=CC=C2C

DOS

IR

Vibrations