Geometry & MOs

Info

ID:	175133
PubChem CID:	75859270
Reduced:	OSN3C21H32 (1)
Stoich.:	ABC3D21E32 (1)
Weight, g/mol:	373.218784
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	11.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755914
Charge, e:	0

Chem-info

IUPAC name:

7-[[[1-(4-butan-2-ylphenyl)-2-methylpropyl]amino]methyl]-6,7,8,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)C(C(C)C)NCC2CC(=O)N3C=CSC3[NH2+]2

DOS

IR

Vibrations