Geometry & MOs

Info

ID:	23415
PubChem CID:	603423
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	337.146013
ΔH_f, kcal/mol:	-115.73
Dipole, Da:	7.48
IP(EA), eV:	-9.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)OC(=O)CSC3=NC(=O)C=C(N3)N)C)C

DOS

IR

Vibrations