Geometry & MOs

Info

ID:	234583
PubChem CID:	92303113
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	384.144239
ΔH_f, kcal/mol:	-108.41
Dipole, Da:	3.48
IP(EA), eV:	-9.31(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-(2-methylbutan-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOC(=N[C@@H](C)C(C)C)NC(=O)C1=CC(=CC=C1)OC

DOS

IR

Vibrations