Geometry & MOs

Info

ID:	423208
PubChem CID:	135119120
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	-9.77
Dipole, Da:	6.69
IP(EA), eV:	-9.38(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol

Drug info:

PubChemData

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CCC1=NOC(=C1)CN2C[C@@H]3COC[C@H](C2)N(C3=O)C

DOS

IR

Vibrations