Geometry & MOs

Info

ID:	236976
PubChem CID:	92716579
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	361.157246
ΔH_f, kcal/mol:	-34.23
Dipole, Da:	3.65
IP(EA), eV:	-9.04(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC[C@@H]3C(=O)NCCC4=CCCCC4

DOS

IR

Vibrations