Geometry & MOs

Info

ID:	178221
PubChem CID:	76297823
Reduced:	SO4N5C23H29 (1)
Stoich.:	AB4C5D23E29 (1)
Weight, g/mol:	430.203862
ΔH_f, kcal/mol:	-149.47
Dipole, Da:	6.73
IP(EA), eV:	-8.69(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethyl-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC2C1C(=O)NC(N2)CCC(=O)NCC3=CC=C(C=C3)C(=O)N4CCNC(=O)C4)C

DOS

IR

Vibrations