Geometry & MOs

Info

ID:	440823
PubChem CID:	135231675
Reduced:	FSO2N6C27H31 (1)
Stoich.:	ABC2D6E27F31 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	1.95
Dipole, Da:	2.9
IP(EA), eV:	-8.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1Z)-3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]buta-1,3-dienyl]-3-methyl-1-benzothiophene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1CC2=CC(=NC=C2)N3CCC(CC3)SC)C4=CC(=NO4)C5=CC=C(C=C5)OC(C)(C)F

DOS

IR

Vibrations