Geometry & MOs

Info

ID:	354894
PubChem CID:	127287654
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-84.62
Dipole, Da:	5.3
IP(EA), eV:	-9.31(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantylmethyl)-2-(1-cyclopropyl-4-oxopyrimidin-2-yl)sulfanyl-N-methylacetamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(CCO2)C(=O)CSC3=NC(=O)C=CN3C4CC4

DOS

IR

Vibrations