Geometry & MOs

Info

ID:	430663
PubChem CID:	135170729
Reduced:	N4O4C31H38 (1)
Stoich.:	A4B4C31D38 (1)
Weight, g/mol:	340.099397
ΔH_f, kcal/mol:	-103.56
Dipole, Da:	5.53
IP(EA), eV:	-8.63(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[4-(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCCNCC1=C2C=CC(=CC2=C(C3=CC=CC=C31)CNCCCNC(=O)C(=C)C)C(=O)O

DOS

IR

Vibrations